| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.5 | Very low | 35.4 | Very low | 229 Ų | 229 | 142.3 Ų | 142.3 | 100% | 1.128 | 74% | 0.739 | S | S | * | * | 0 | 130.7 | 0 | -83.2 | -167.9 | 82.5 | 0 | 0 | 108.4 | |||||
| 2 | L | 37.1 | Very low | 34.9 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | trans | 60.5 | 105.3 | 175.9 | -74.4 | 86.8 | 0 | 0 | 0 | 116.8 | ||||
| 3 | L | 34 | Very low | 34.5 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | 55.9 | 132 | 66.2 | -76.6 | 117.1 | 0 | 0 | 0 | 112.3 | |||||
| 4 | L | 35.8 | Very low | 34.1 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 61% | 0.613 | 76% | 0.762 | S | S | * | * | cis | 176.4 | 151.5 | -2.5 | -155.2 | 78.1 | 0 | 0 | 0 | 106.6 | ||||
| 5 | R | 40.4 | Very low | 33.6 | Very low | 199 Ų | 199 | 134.5 Ų | 134.5 | 75% | 0.751 | 77% | 0.766 | S | S | * | * | trans | 81.5 | 148.9 | 148.6 | -54.7 | -147.6 | 165.4 | -159.7 | 2.7 | 119.4 | ||||
| 6 | L | 38.8 | Very low | 33.1 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 59% | 0.586 | 77% | 0.774 | S | S | * | * | cis | -165.6 | 134.8 | -10.3 | -129.4 | 47.5 | 0 | 0 | 0 | 103 | ||||
| 7 | L | 35.3 | Very low | 32.7 | Very low | 134 Ų | 134 | 144 Ų | 144 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | 65.8 | 123.3 | 86.9 | -100.9 | 165 | 0 | 0 | 0 | 111.2 | |||||
| 8 | L | 35.3 | Very low | 32.1 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | -175.3 | 140.5 | 62.3 | -79.2 | 129.8 | 0 | 0 | 0 | 111.1 | |||||
| 9 | L | 32.6 | Very low | 31.7 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | 70.4 | 143.2 | 116.1 | -63.7 | 174.8 | 0 | 0 | 0 | 116.3 | |||||
| 10 | T | 34.3 | Very low | 31.4 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | cis | 176.4 | 165 | 18.2 | 21.4 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 11 | S | 31.6 | Very low | 31.1 | Very low | 109 Ų | 109 | 145 Ų | 145 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | cis | -174.9 | 151.1 | -4.2 | 40.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 12 | A | 29.6 | Very low | 30.7 | Very low | 90 Ų | 90 | 139.1 Ų | 139.1 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | -68 | 164.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 13 | L | 29.4 | Very low | 30.2 | Very low | 180 Ų | 180 | 141.3 Ų | 141.3 | 94% | 0.942 | 79% | 0.788 | S | S | * | * | trans | -166.4 | 138 | 130.7 | -103 | 151.6 | 0 | 0 | 0 | 112.3 | ||||
| 14 | A | 29 | Very low | 29.8 | Very low | 103 Ų | 103 | 140 Ų | 140 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -90.6 | 163.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 15 | G | 26.9 | Very low | 29.3 | Very low | 80 Ų | 80 | 142 Ų | 142 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -168.1 | 109.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 16 | Q | 25.3 | Very low | 28.6 | Very low | 191 Ų | 191 | 140.2 Ų | 140.2 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | -84.6 | 145.3 | 166 | -84.8 | 172.7 | -47.7 | 0 | 0 | 110.8 | ||||
| 17 | R | 26 | Very low | 28 | Very low | 239 Ų | 239 | 139.5 Ų | 139.5 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | 169.9 | 162.5 | 118.9 | -96.8 | -174.2 | 173.3 | -142.3 | -0.3 | 114.1 | |||||
| 18 | Q | 22.5 | Very low | 27.8 | Very low | 185 Ų | 185 | 138 Ų | 138 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -73.2 | 167.2 | -163.6 | -67.1 | 155.6 | -44.7 | 0 | 0 | 118.4 | ||||
| 19 | G | 23.8 | Very low | 27.5 | Very low | 68 Ų | 68 | 141.5 Ų | 141.5 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | trans | 123.6 | 135.8 | 155.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 20 | T | 25.4 | Very low | 27.3 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 91% | 0.908 | 83% | 0.828 | S | S | * | * | cis | -173.4 | 162.8 | 9.5 | 15.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 21 | Q | 25.8 | Very low | 26.9 | Very low | 197 Ų | 197 | 147.7 Ų | 147.7 | 92% | 0.921 | 84% | 0.836 | S | S | * | * | trans | -57.2 | 151.4 | -174.5 | -64.9 | 167.4 | -57.5 | 0 | 0 | 116.1 | ||||
| 22 | A | 26.1 | Very low | 26.7 | Very low | 104 Ų | 104 | 152.6 Ų | 152.6 | 86% | 0.86 | 84% | 0.844 | S | S | * | * | trans | -166.7 | 141.4 | 132.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 23 | E | 26.5 | Very low | 26.5 | Very low | 188 Ų | 188 | 153.7 Ų | 153.7 | 88% | 0.879 | 85% | 0.847 | S | S | * | * | trans | -70 | 156.3 | -176 | -60.2 | 164.5 | 138.6 | 0 | 0 | 113.8 | ||||
| 24 | S | 25.7 | Very low | 26.4 | Very low | 119 Ų | 119 | 150 Ų | 150 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | trans | 177.4 | 137.7 | 133.4 | 39.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 25 | N | 25.4 | Very low | 26.2 | Very low | 159 Ų | 159 | 153.3 Ų | 153.3 | 85% | 0.85 | 84% | 0.84 | S | S | * | * | trans | -56.8 | 139.9 | 167.9 | -63.2 | -56.9 | 0 | 0 | 0 | 112.4 | ||||
| 26 | L | 26.3 | Very low | 26.4 | Very low | 160 Ų | 160 | 158.6 Ų | 158.6 | 84% | 0.838 | 84% | 0.84 | S | S | * | * | trans | -175.5 | 130.6 | 133.8 | -140.9 | 55.2 | 0 | 0 | 0 | 114.1 | ||||
| 27 | S | 26.4 | Very low | 26.5 | Very low | 97 Ų | 97 | 158.9 Ų | 158.9 | 68% | 0.678 | 84% | 0.841 | S | S | * | * | trans | 42.1 | 108.3 | 140.1 | -59.9 | 0 | 0 | 0 | 0 | 120.6 | K29 | S27-K29 PolarHBondContact O-N 3.48Å; S27-K29 VanDerWaalsContact O-N 3.13Å | ||
| 28 | S | 29.8 | Very low | 26.9 | Very low | 103 Ų | 103 | 155.8 Ų | 155.8 | 72% | 0.72 | 84% | 0.837 | S | S | * | * | trans | -68.2 | 102 | 156.1 | 54.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 29 | K | 29.6 | Very low | 27.3 | Very low | 197 Ų | 197 | 154.8 Ų | 154.8 | 86% | 0.857 | 84% | 0.838 | S | S | * | * | trans | -62.5 | 130.1 | 158.1 | -83.9 | 174.4 | 171.9 | 174.7 | 0 | 109.2 | S27 | S27-K29 PolarHBondContact O-N 3.48Å; S27-K29 VanDerWaalsContact O-N 3.13Å | ||
| 30 | F | 28.7 | Very low | 28 | Very low | 194 Ų | 194 | 155.4 Ų | 155.4 | 85% | 0.851 | 84% | 0.843 | S | S | * | * | trans | -115.6 | 121.6 | 159.5 | -86.1 | -81.6 | 0 | 0 | 0 | 109.6 | ||||
| 31 | Q | 25.5 | Very low | 28.3 | Very low | 190 Ų | 190 | 154.9 Ų | 154.9 | 89% | 0.888 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 133.5 | 176.1 | -78.8 | 167.4 | -71.8 | 0 | 0 | 110.3 | ||
| 32 | F | 27.3 | Very low | 28.5 | Very low | 212 Ų | 212 | 154.5 Ų | 154.5 | 93% | 0.93 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 119.1 | 165.1 | -127.8 | -94.5 | 0 | 0 | 0 | 108.3 | ||
| 33 | S | 24.2 | Very low | 28.9 | Very low | 114 Ų | 114 | 155 Ų | 155 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 123 | 165.3 | -79.7 | 0 | 0 | 0 | 0 | 108.9 | ||
| 34 | S | 27.6 | Very low | 29.8 | Very low | 103 Ų | 103 | 151.1 Ų | 151.1 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 129.8 | 173.3 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 35 | N | 26.5 | Very low | 31.4 | Very low | 172 Ų | 172 | 150.7 Ų | 150.7 | 92% | 0.92 | 80% | 0.802 | S | S | * | * | trans | -143.2 | 131.1 | 152.3 | -90.6 | -28.4 | 0 | 0 | 0 | 108.4 | ||||
| 36 | K | 30.8 | Very low | 33.6 | Very low | 191 Ų | 191 | 151.1 Ų | 151.1 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -106.5 | 126.5 | -172.1 | -168.4 | -178.1 | -169.7 | 178.1 | 0 | 107.5 | ||||
| 37 | E | 27.4 | Very low | 36.5 | Very low | 197 Ų | 197 | 146.5 Ų | 146.5 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | -140.7 | 133.8 | 161.8 | -108 | 176.4 | 159.2 | 0 | 0 | 110.7 | ||||
| 38 | Q | 34 | Very low | 39.7 | Very low | 174 Ų | 174 | 149.6 Ų | 149.6 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -84.5 | 125 | -178.3 | -78.9 | 163.1 | -49 | 0 | 0 | 110.6 | ||||
| 39 | N | 31.1 | Very low | 42.8 | Very low | 164 Ų | 164 | 149.8 Ų | 149.8 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | 174.8 | 134.1 | 126.5 | -92.4 | -31.8 | 0 | 0 | 0 | 109.4 | V41 | N39-V41 PolarHBondContact O-N 3.27Š| |||
| 40 | G | 38.5 | Very low | 45.9 | Very low | 80 Ų | 80 | 141.8 Ų | 141.8 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | -65.7 | 116.7 | -163.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 41 | V | 31.3 | Very low | 49 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 83% | 0.83 | 72% | 0.716 | S | S | * | * | -147 | 111.1 | 126.7 | 178.1 | 0 | 0 | 0 | 0 | 104 | N39 D43 | N39-V41 PolarHBondContact O-N 3.27Å; V41-D43 PolarHBondContact O-N 3.23Å | |||
| 42 | Q | 31.1 | Very low | 52.3 | Low | 190 Ų | 190 | 128.2 Ų | 128.2 | 89% | 0.888 | 67% | 0.674 | S | S | * | * | trans | -70.9 | 100.7 | 176.4 | -77.5 | -174.9 | -5.9 | 0 | 0 | 108.6 | ||||
| 43 | D | 34.5 | Very low | 55.1 | Low | 115 Ų | 115 | 122.2 Ų | 122.2 | 62% | 0.615 | 66% | 0.659 | S | S | * | * | trans | -48.8 | 138.1 | 165.6 | -167.5 | 40.2 | 0 | 0 | 0 | 109.9 | V41 Q45 | V41-D43 PolarHBondContact O-N 3.23Å; D43-Q45 PolarHBondContact O-N 3.39Å | ||
| 44 | P | 44.7 | Very low | 57.9 | Low | 106 Ų | 106 | 121.2 Ų | 121.2 | 69% | 0.688 | 65% | 0.647 | S | S | * | * | trans | -65.8 | 108.8 | -175.7 | 19.2 | -13.7 | 0 | 0 | 0 | 108 | H46 | P44-H46 PolarHBondContact O-N 3.29Å; P44-H46 VanDerWaalsContact O-N 3.11Å | ||
| 45 | Q | 58.9 | Low | 60.9 | Low | 109 Ų | 109 | 122.4 Ų | 122.4 | 51% | 0.509 | 65% | 0.646 | S | S | . | * | trans | -46.4 | 121.3 | 179.6 | -68.8 | -179.3 | -24.4 | 0 | 0 | 110.1 | D43 E47 | D43-Q45 PolarHBondContact O-N 3.39Å; Q45-E47 PolarHBondContact O-N 2.82Å | ||
| 46 | H | 70.8 | Confident | 64.1 | Low | 169 Ų | 169 | 115.2 Ų | 115.2 | 78% | 0.782 | 61% | 0.613 | S | S | * | * | trans | -41.7 | 102.6 | -171.5 | -67.5 | 81.3 | 0 | 0 | 0 | 112.4 | P44 R48 | P44-H46 PolarHBondContact O-N 3.29Å; P44-H46 VanDerWaalsContact O-N 3.11Å; H46-R48 PolarHBondContact O-N 2.82Å | ||
| 47 | E | 88.9 | Confident | 67.2 | Low | 62 Ų | 62 | 108.8 Ų | 108.8 | 29% | 0.29 | 59% | 0.591 | S | S | . | * | trans | -67.1 | 119.6 | 171.1 | 176.3 | 174 | -124.4 | 0 | 0 | 109.2 | Q45 I49 V74 R76 R141 | Q45-E47 PolarHBondContact O-N 2.82Å; E47-I49 PolarHBondContact O-N 3.16Å; E47-V74 HydrophobicContact CB-CG1 4.19Å; E47-V74 HydrophobicContact CG-CG1 3.93Å; E47-R76 HydrophobicContact CG-CB 3.86Å; E47-R76 WeakPolarHBondContact OE1-CB 3.28Å; E47-R76 IonicContact OE1-CZ 3.36Å; E47-R76 IonicContact OE1-NE 2.89Å; E47-R76 PolarHBondContact OE1-NE 2.61Å; E47-R76 IonicContact OE1-NH2 2.96Å; E47-R76 PolarHBondContact OE1-NH2 3.45Å; E47-R76 IonicContact OE2-CZ 3.42Å; E47-R76 IonicContact OE2-NE 2.93Å; E47-R76 PolarHBondContact OE2-NE 3.08Å; E47-R76 IonicContact OE2-NH2 3.12Å; E47-R76 PolarHBondContact OE2-NH2 2.81Å; E47-R76 VanDerWaalsContact OE2-NH2 3.12Å; E47-R141 WeakPolarHBondContact OE1-CD 3.5Å; E47-R141 IonicContact OE1-CZ 2.96Å; E47-R141 IonicContact OE1-NE 2.94Å; E47-R141 PolarHBondContact OE1-NE 2.8Å | ||
| 48 | R | 93.6 | Very high | 70.5 | Confident | 162 Ų | 162 | 99.7 Ų | 99.7 | 61% | 0.611 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 105.7 | 176.8 | -174.3 | 175.1 | 178.3 | -177.7 | -1.5 | 109.7 | H46 I50 V74 W75 R76 | H46-R48 PolarHBondContact O-N 2.82Å; R48-I50 HydrophobicContact CG-CG1 4.35Å; R48-V74 PolarHBondContact N-O 2.92Å; R48-W75 CarbonylContact O-C 3.6Å; R48-W75 WeakPolarHBondContact O-CA 3.41Å; R48-R76 PolarHBondContact O-N 2.9Å |
| 49 | I | 94.4 | Very high | 73.5 | Confident | 107 Ų | 107 | 95.8 Ų | 95.8 | 55% | 0.549 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 127.6 | 173.2 | -56.4 | 175.1 | 0 | 0 | 0 | 109.2 | E47 R76 V78 | E47-I49 PolarHBondContact O-N 3.16Å; I49-R76 CarbonylContact C-O 3.54Å; I49-R76 WeakPolarHBondContact CA-O 3.35Å; I49-R76 HydrophobicContact CG1-CB 4.41Å; I49-V78 HydrophobicContact CG2-CG2 3.99Å |
| 50 | I | 94.8 | Very high | 76.6 | Confident | 30 Ų | 30 | 88 Ų | 88 | 15% | 0.154 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 116 | 174.7 | -62.4 | 171.3 | 0 | 0 | 0 | 107.4 | R48 V52 I58 W75 R76 L77 V78 | R48-I50 HydrophobicContact CG-CG1 4.35Å; I50-V52 PolarHBondContact O-N 2.79Å; I50-I58 HydrophobicContact CD1-CD1 4.04Å; I50-I58 HydrophobicContact CD1-CG1 4.11Å; I50-W75 HydrophobicContact CD1-CB 4.48Å; I50-W75 HydrophobicContact CD1-CG 4.39Å; I50-R76 PolarHBondContact N-O 3.4Å; I50-L77 HydrophobicContact CB-CD2 3.58Å; I50-L77 HydrophobicContact CD1-CD2 3.91Å; I50-L77 HydrophobicContact CG1-CD2 4.26Å; I50-L77 HydrophobicContact CG2-CD2 3.85Å; I50-L77 WeakPolarHBondContact O-CA 3.26Å; I50-V78 PolarHBondContact O-N 2.9Å |
| 51 | T | 94.1 | Very high | 79.3 | Confident | 98 Ų | 98 | 86.3 Ų | 86.3 | 60% | 0.601 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 119.7 | 171.9 | -54.2 | 0 | 0 | 0 | 0 | 109.4 | V78 V80 | T51-V78 CarbonylContact C-O 3.26Å; T51-V78 WeakPolarHBondContact CA-O 3.38Å; T51-V80 HydrophobicContact CG2-CG2 3.3Å |
| 52 | V | 93 | Very high | 82.3 | Confident | 1 Ų | 1 | 86.3 Ų | 86.3 | 1% | 0.006 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 113 | -178.4 | -174.4 | 0 | 0 | 0 | 0 | 109.1 | I50 T54 L77 V78 A79 V80 I86 Y160 I162 | I50-V52 PolarHBondContact O-N 2.79Å; V52-T54 WeakPolarHBondContact CG1-O 3.46Å; V52-L77 HydrophobicContact CG2-CB 3.76Å; V52-L77 HydrophobicContact CG2-CD1 4.41Å; V52-L77 HydrophobicContact CG2-CD2 4.05Å; V52-L77 HydrophobicContact CG2-CG 4.3Å; V52-V78 PolarHBondContact N-O 2.85Å; V52-A79 HydrophobicContact CB-CB 4.45Å; V52-A79 WeakPolarHBondContact O-CA 3.24Å; V52-V80 PolarHBondContact O-N 2.79Å; V52-I86 HydrophobicContact CG2-CD1 4.33Å; V52-Y160 HydrophobicContact CG1-CD2 3.82Å; V52-Y160 HydrophobicContact CG1-CE2 3.9Å; V52-Y160 HydrophobicContact CG2-CD2 4.12Å; V52-Y160 HydrophobicContact CG2-CE2 4Å; V52-I162 HydrophobicContact CG1-CD1 4.05Å; V52-I162 HydrophobicContact CG1-CG1 3.62Å |
| 53 | S | 86.5 | Confident | 85.4 | Confident | 86 Ų | 86 | 78.8 Ų | 78.8 | 60% | 0.601 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -118.6 | -19 | 171.6 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 54 | T | 84.3 | Confident | 88.2 | Confident | 92 Ų | 92 | 75.9 Ų | 75.9 | 56% | 0.564 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -142.2 | 179.5 | 179.7 | 58.2 | 0 | 0 | 0 | 0 | 109.6 | V52 | V52-T54 WeakPolarHBondContact CG1-O 3.46Š|
| 55 | N | 90.4 | Very high | 90.6 | Very high | 128 Ų | 128 | 76.6 Ų | 76.6 | 68% | 0.684 | 39% | 0.394 | S | S | * | . | trans | -64.5 | 152.1 | 167.5 | 62.8 | -40.2 | 0 | 0 | 0 | 111.5 | Y160 N161 | N55-Y160 CarbonylContact C-O 3.59Å; N55-Y160 WeakPolarHBondContact CA-O 3.23Å; N55-N161 HydrophobicContact CB-CB 4.14Å | ||
| 56 | G | 93.3 | Very high | 92.3 | Very high | 22 Ų | 22 | 73.3 Ų | 73.3 | 23% | 0.227 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | -169.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | H159 Y160 | G56-H159 CarbonylContact O-C 3.56Å; G56-H159 WeakPolarHBondContact O-CA 3.5Å; G56-Y160 VanDerWaalsContact C-CE1 3.42Å; G56-Y160 PolarHBondContact N-O 3.38Å; G56-Y160 PolarHBondContact O-N 3.28Å |
| 57 | S | 96.2 | Very high | 93.6 | Very high | 55 Ų | 55 | 65.3 Ų | 65.3 | 39% | 0.385 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 153.8 | 176.6 | 61.7 | 0 | 0 | 0 | 0 | 113.3 | I158 Y160 | S57-I158 CarbonylContact C-O 3.57Å; S57-I158 WeakPolarHBondContact CA-O 3.47Å; S57-I158 WeakPolarHBondContact CB-O 3.2Å; S57-Y160 VanDerWaalsContact N-CE1 3.32Å |
| 58 | I | 96.6 | Very high | 93.9 | Very high | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 139 | 170.2 | -67.8 | 162.6 | 0 | 0 | 0 | 106.9 | I50 W75 L77 I142 F156 C157 I158 Y160 | I50-I58 HydrophobicContact CD1-CD1 4.04Å; I50-I58 HydrophobicContact CD1-CG1 4.11Å; I58-W75 HydrophobicContact CD1-CB 3.78Å; I58-W75 HydrophobicContact CD1-CD2 4.34Å; I58-W75 HydrophobicContact CD1-CG 3.86Å; I58-W75 HydrophobicContact CG1-CG 4.39Å; I58-W75 HydrophobicContact CG2-CD2 3.55Å; I58-W75 VanDerWaalsContact CG2-CE2 3.5Å; I58-W75 HydrophobicContact CG2-CE3 3.74Å; I58-W75 HydrophobicContact CG2-CG 4.14Å; I58-W75 HydrophobicContact CG2-CH2 3.8Å; I58-W75 HydrophobicContact CG2-CZ2 3.63Å; I58-W75 HydrophobicContact CG2-CZ3 3.86Å; I58-L77 HydrophobicContact CD1-CD1 4.29Å; I58-L77 HydrophobicContact CD1-CD2 3.69Å; I58-L77 HydrophobicContact CD1-CG 4.18Å; I58-I142 HydrophobicContact CD1-CD1 3.76Å; I58-F156 HydrophobicContact CG2-CE2 4.27Å; I58-C157 CarbonylContact O-C 3.55Å; I58-C157 WeakPolarHBondContact O-CA 3.45Å; I58-I158 PolarHBondContact N-O 2.75Å; I58-I158 PolarHBondContact O-N 3.34Å; I58-Y160 HydrophobicContact CD1-CD1 4.37Å; I58-Y160 HydrophobicContact CD1-CE1 4.37Å; I58-Y160 HydrophobicContact CG1-CD1 4.33Å; I58-Y160 HydrophobicContact CG1-CE1 4.06Å |
| 59 | H | 96.5 | Very high | 94 | Very high | 92 Ų | 92 | 63.4 Ų | 63.4 | 43% | 0.426 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 156.6 | -178.5 | 50.9 | -73.9 | 0 | 0 | 0 | 110.5 | F63 F156 C157 | H59-F63 HydrophobicContact CB-CB 3.91Å; H59-F63 HydrophobicContact CB-CD1 4.47Å; H59-F63 HydrophobicContact CB-CG 4.25Å; H59-F156 CarbonylContact C-O 3.54Å; H59-F156 WeakPolarHBondContact CA-O 3.23Å; H59-F156 VanDerWaalsContact CB-O 3.27Å; H59-F156 WeakPolarHBondContact CB-O 3.5Å; H59-C157 HydrophobicContact CB-CB 4.05Å |
| 60 | S | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | trans | -59 | 145.6 | 168.9 | 53.5 | 0 | 0 | 0 | 0 | 109.7 | R62 F63 G155 F156 | S60-R62 PolarHBondContact O-N 2.93Å; S60-F63 WeakPolarHBondContact O-CB 3.48Å; S60-F63 PolarHBondContact O-N 3.11Å; S60-G155 WeakPolarHBondContact OG-CA 3.47Å; S60-F156 PolarHBondContact N-O 2.83Å; S60-F156 PolarHBondContact OG-N 3.42Å; S60-F156 PolarHBondContact OG-O 3.21Å | ||
| 61 | P | 95.6 | Very high | 93.8 | Very high | 45 Ų | 45 | 63 Ų | 63 | 29% | 0.292 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 131.5 | 176.4 | -19.8 | 29.8 | 0 | 0 | 0 | 110.1 | F63 P68 L73 | P61-F63 VanDerWaalsContact C-N 3.35Å; P61-P68 HydrophobicContact CB-CG 3.88Å; P61-P68 HydrophobicContact CG-CG 3.79Å; P61-L73 HydrophobicContact CG-CD1 3.67Å |
| 62 | R | 94 | Very high | 93.9 | Very high | 137 Ų | 137 | 60.5 Ų | 60.5 | 52% | 0.517 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 7.1 | -177.7 | -51.8 | -179.7 | -80.2 | 130.2 | -2.6 | 116.4 | S60 H65 T66 Y67 P68 | S60-R62 PolarHBondContact O-N 2.93Å; R62-H65 HydrophobicContact CB-CB 4.34Å; R62-H65 WeakPolarHBondContact O-CA 3.38Å; R62-H65 VanDerWaalsContact O-CB 3.22Å; R62-H65 WeakPolarHBondContact O-CB 3.34Å; R62-H65 PolarHBondContact O-N 2.96Å; R62-T66 PolarHBondContact NE-O 2.93Å; R62-T66 PolarHBondContact NH1-O 2.89Å; R62-T66 PolarHBondContact NH2-O 3.17Å; R62-Y67 PolarHBondContact NH2-O 3.12Å; R62-P68 VanDerWaalsContact NH2-N 3.17Å |
| 63 | F | 95 | Very high | 94.1 | Very high | 33 Ų | 33 | 63 Ų | 63 | 15% | 0.145 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | 133.6 | 171.9 | -178.3 | -93 | 0 | 0 | 0 | 111.7 | H59 S60 P61 D91 R93 P154 F156 C157 | H59-F63 HydrophobicContact CB-CB 3.91Å; H59-F63 HydrophobicContact CB-CD1 4.47Å; H59-F63 HydrophobicContact CB-CG 4.25Å; S60-F63 WeakPolarHBondContact O-CB 3.48Å; S60-F63 PolarHBondContact O-N 3.11Å; P61-F63 VanDerWaalsContact C-N 3.35Å; F63-D91 HydrophobicContact CZ-CB 4.36Å; F63-R93 HydrophobicContact CE2-CB 4.42Å; F63-R93 HydrophobicContact CZ-CB 4.15Å; F63-P154 WeakPolarHBondContact CD2-O 3.22Å; F63-P154 HydrophobicContact CE2-CB 4.18Å; F63-F156 VanDerWaalsContact CD2-O 3.28Å; F63-F156 WeakPolarHBondContact CD2-O 3.33Å; F63-C157 HydrophobicContact CD1-CB 3.83Å; F63-C157 HydrophobicContact CD2-CB 4.32Å; F63-C157 HydrophobicContact CE1-CB 3.5Å; F63-C157 VanDerWaalsContact CE1-CB 3.5Å; F63-C157 HydrophobicContact CE2-CB 4.04Å; F63-C157 HydrophobicContact CG-CB 4.23Å; F63-C157 HydrophobicContact CZ-CB 3.61Å |
| 64 | P | 95 | Very high | 94.6 | Very high | 53 Ų | 53 | 59.4 Ų | 59.4 | 34% | 0.344 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -90.6 | 19.1 | 7.6 | 38.6 | -37.5 | 0 | 0 | 0 | 114.4 | P154 | P64-P154 CarbonylContact C-O 3.58Å; P64-P154 WeakPolarHBondContact CA-O 3.36Å; P64-P154 HydrophobicContact CB-CB 4.05Å; P64-P154 WeakPolarHBondContact O-CA 3.11Å; P64-P154 WeakPolarHBondContact O-CB 3.34Å |
| 65 | H | 94.8 | Very high | 95.2 | Very high | 122 Ų | 122 | 55.9 Ų | 55.9 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -89.2 | 168.4 | 173.3 | -54.4 | -63.7 | 0 | 0 | 0 | 111.4 | R62 Y67 | R62-H65 HydrophobicContact CB-CB 4.34Å; R62-H65 WeakPolarHBondContact O-CA 3.38Å; R62-H65 VanDerWaalsContact O-CB 3.22Å; R62-H65 WeakPolarHBondContact O-CB 3.34Å; R62-H65 PolarHBondContact O-N 2.96Å; H65-Y67 PolarHBondContact O-N 2.96Å |
| 66 | T | 94.6 | Very high | 95.5 | Very high | 40 Ų | 40 | 52.2 Ų | 52.2 | 25% | 0.245 | 26% | 0.264 | C | S | . | . | trans | -44 | 130.9 | 178.4 | -40.2 | 0 | 0 | 0 | 0 | 112.1 | R62 P151 S152 | R62-T66 PolarHBondContact NE-O 2.93Å; R62-T66 PolarHBondContact NH1-O 2.89Å; R62-T66 PolarHBondContact NH2-O 3.17Å; T66-P151 HydrophobicContact CG2-CB 3.69Å; T66-P151 HydrophobicContact CG2-CG 3.76Å; T66-S152 WeakPolarHBondContact CA-O 3.42Å | ||
| 67 | Y | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 160.6 | 175.7 | 52.4 | -94 | 0 | 0 | 0 | 111.6 | R62 H65 L96 E97 D107 F144 P151 S152 | R62-Y67 PolarHBondContact NH2-O 3.12Å; H65-Y67 PolarHBondContact O-N 2.96Å; Y67-L96 HydrophobicContact CD1-CD2 3.83Å; Y67-L96 HydrophobicContact CE1-CD2 3.37Å; Y67-E97 PolarHBondContact OH-N 3.07Å; Y67-E97 VanDerWaalsContact OH-N 3.1Å; Y67-D107 HydrophobicContact CE2-CB 4.38Å; Y67-D107 WeakPolarHBondContact CE2-OD2 3.33Å; Y67-D107 PolarHBondContact OH-OD2 2.77Å; Y67-F144 HydrophobicContact CD2-CE1 4.36Å; Y67-F144 AromaticContact CD2-CZ 3.59Å; Y67-F144 HydrophobicContact CD2-CZ 3.59Å; Y67-F144 HydrophobicContact CE2-CZ 4.07Å; Y67-F144 AromaticContact CG-CZ 3.85Å; Y67-F144 HydrophobicContact CG-CZ 3.85Å; Y67-P151 HydrophobicContact CD2-CB 3.99Å; Y67-P151 HydrophobicContact CE2-CB 3.63Å; Y67-S152 VanDerWaalsContact CD1-O 3.25Å; Y67-S152 WeakPolarHBondContact CD1-O 3.17Å; Y67-S152 WeakPolarHBondContact CE1-O 3.45Å; Y67-S152 PolarHBondContact OH-N 3.01Å |
| 68 | P | 95.8 | Very high | 95.7 | Very high | 34 Ų | 34 | 50.2 Ų | 50.2 | 22% | 0.221 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -70.8 | 147.9 | 176.5 | 27 | -33 | 0 | 0 | 0 | 112 | P61 R62 T71 S146 | P61-P68 HydrophobicContact CB-CG 3.88Å; P61-P68 HydrophobicContact CG-CG 3.79Å; R62-P68 VanDerWaalsContact NH2-N 3.17Å; P68-T71 WeakPolarHBondContact CB-OG1 3.49Å; P68-T71 HydrophobicContact CG-CG2 4.18Å; P68-T71 WeakPolarHBondContact CG-OG1 3.11Å; P68-T71 PolarHBondContact O-OG1 3.34Å; P68-S146 PolarHBondContact O-OG 3.41Å |
| 69 | R | 95.4 | Very high | 95.6 | Very high | 150 Ų | 150 | 50 Ų | 50 | 57% | 0.566 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -75.4 | 161.6 | 172.7 | -62.4 | -167.6 | -63.3 | -98.6 | 0.5 | 111.2 | T71 D147 E148 P151 | R69-T71 PolarHBondContact O-N 3.31Å; R69-T71 PolarHBondContact O-OG1 3.06Å; R69-D147 CarbonylContact C-O 3.58Å; R69-D147 WeakPolarHBondContact CA-O 3.28Å; R69-D147 WeakPolarHBondContact CB-O 3.27Å; R69-E148 WeakPolarHBondContact CD-O 2.92Å; R69-E148 PolarHBondContact NE-O 2.96Å; R69-P151 HydrophobicContact CG-CB 4.02Å; R69-P151 HydrophobicContact CG-CG 3.62Å |
| 70 | N | 93.9 | Very high | 95.3 | Very high | 106 Ų | 106 | 50.4 Ų | 50.4 | 57% | 0.567 | 25% | 0.253 | S | S | * | . | S | Bend | trans | 47.7 | 46.9 | 176.2 | -163.7 | 4.3 | 0 | 0 | 0 | 112.1 | S146 D147 E148 | N70-S146 VanDerWaalsContact CA-O 3.25Å; N70-S146 WeakPolarHBondContact CA-O 2.95Å; N70-S146 PolarHBondContact N-O 3.03Å; N70-S146 PolarHBondContact N-OG 3.4Å; N70-D147 PolarHBondContact N-O 2.85Å; N70-E148 HydrophobicContact CB-CG 4.18Å; N70-E148 PolarHBondContact ND2-OE1 2.78Å |
| 71 | T | 92.4 | Very high | 94.8 | Very high | 23 Ų | 23 | 55.7 Ų | 55.7 | 14% | 0.141 | 28% | 0.278 | C | S | . | . | trans | -115.5 | 129 | -173.2 | -66.7 | 0 | 0 | 0 | 0 | 109.1 | P68 R69 L73 F144 V145 S146 | P68-T71 WeakPolarHBondContact CB-OG1 3.49Å; P68-T71 HydrophobicContact CG-CG2 4.18Å; P68-T71 WeakPolarHBondContact CG-OG1 3.11Å; P68-T71 PolarHBondContact O-OG1 3.34Å; R69-T71 PolarHBondContact O-N 3.31Å; R69-T71 PolarHBondContact O-OG1 3.06Å; T71-L73 HydrophobicContact CG2-CD1 3.83Å; T71-L73 HydrophobicContact CG2-CD2 4.32Å; T71-L73 HydrophobicContact CG2-CG 3.67Å; T71-F144 HydrophobicContact CG2-CD1 4.28Å; T71-F144 HydrophobicContact CG2-CE1 4.2Å; T71-V145 CarbonylContact O-C 3.59Å; T71-V145 VanDerWaalsContact O-CA 3.32Å; T71-V145 WeakPolarHBondContact O-CA 3.04Å; T71-S146 WeakPolarHBondContact CB-OG 3.33Å; T71-S146 PolarHBondContact N-O 2.83Å; T71-S146 PolarHBondContact N-OG 2.91Å; T71-S146 PolarHBondContact O-N 3.48Å | ||
| 72 | V | 96.2 | Very high | 93.9 | Very high | 46 Ų | 46 | 61.4 Ų | 61.4 | 28% | 0.279 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 121.3 | 168.9 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | V74 F144 V145 | V72-V74 HydrophobicContact CG1-CG2 4.4Å; V72-F144 CarbonylContact C-O 3.57Å; V72-F144 VanDerWaalsContact CA-O 3.31Å; V72-F144 WeakPolarHBondContact CA-O 3.37Å; V72-V145 HydrophobicContact CG1-CG2 4.12Å; V72-V145 HydrophobicContact CG2-CG1 4.33Å; V72-V145 HydrophobicContact CG2-CG2 4.23Å |
| 73 | L | 96.2 | Very high | 93.4 | Very high | 53 Ų | 53 | 61.4 Ų | 61.4 | 28% | 0.277 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.3 | 178.9 | -62.6 | 171.1 | 0 | 0 | 0 | 108.6 | P61 T71 W75 R143 F144 | P61-L73 HydrophobicContact CG-CD1 3.67Å; T71-L73 HydrophobicContact CG2-CD1 3.83Å; T71-L73 HydrophobicContact CG2-CD2 4.32Å; T71-L73 HydrophobicContact CG2-CG 3.67Å; L73-W75 HydrophobicContact CB-CE3 4.3Å; L73-W75 HydrophobicContact CB-CH2 3.33Å; L73-W75 HydrophobicContact CB-CZ2 3.66Å; L73-W75 HydrophobicContact CB-CZ3 3.67Å; L73-W75 HydrophobicContact CD1-CH2 3.58Å; L73-W75 HydrophobicContact CD1-CZ2 3.71Å; L73-W75 HydrophobicContact CG-CH2 4.08Å; L73-W75 HydrophobicContact CG-CZ2 4.23Å; L73-R143 CarbonylContact O-C 3.6Å; L73-R143 WeakPolarHBondContact O-CA 3.47Å; L73-F144 HydrophobicContact CB-CB 4.43Å; L73-F144 HydrophobicContact CD1-CD1 4.23Å; L73-F144 PolarHBondContact N-O 3.39Å; L73-F144 PolarHBondContact O-N 2.86Å |
| 74 | V | 97.1 | Very high | 93.1 | Very high | 10 Ų | 10 | 60 Ų | 60 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 123.8 | 179.2 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | E47 R48 V72 R141 I142 R143 | E47-V74 HydrophobicContact CB-CG1 4.19Å; E47-V74 HydrophobicContact CG-CG1 3.93Å; R48-V74 PolarHBondContact N-O 2.92Å; V72-V74 HydrophobicContact CG1-CG2 4.4Å; V74-R141 HydrophobicContact CG1-CG 4.01Å; V74-I142 CarbonylContact C-O 3.58Å; V74-I142 WeakPolarHBondContact CA-O 3.45Å; V74-R143 HydrophobicContact CG2-CG 4.08Å |
| 75 | W | 97.8 | Very high | 93 | Very high | 18 Ų | 18 | 61.7 Ų | 61.7 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.6 | 172.7 | -58.5 | -87.3 | 0 | 0 | 0 | 109.5 | R48 I50 I58 L73 R141 I142 F144 F156 | R48-W75 CarbonylContact O-C 3.6Å; R48-W75 WeakPolarHBondContact O-CA 3.41Å; I50-W75 HydrophobicContact CD1-CB 4.48Å; I50-W75 HydrophobicContact CD1-CG 4.39Å; I58-W75 HydrophobicContact CD1-CB 3.78Å; I58-W75 HydrophobicContact CD1-CD2 4.34Å; I58-W75 HydrophobicContact CD1-CG 3.86Å; I58-W75 HydrophobicContact CG1-CG 4.39Å; I58-W75 HydrophobicContact CG2-CD2 3.55Å; I58-W75 VanDerWaalsContact CG2-CE2 3.5Å; I58-W75 HydrophobicContact CG2-CE3 3.74Å; I58-W75 HydrophobicContact CG2-CG 4.14Å; I58-W75 HydrophobicContact CG2-CH2 3.8Å; I58-W75 HydrophobicContact CG2-CZ2 3.63Å; I58-W75 HydrophobicContact CG2-CZ3 3.86Å; L73-W75 HydrophobicContact CB-CE3 4.3Å; L73-W75 HydrophobicContact CB-CH2 3.33Å; L73-W75 HydrophobicContact CB-CZ2 3.66Å; L73-W75 HydrophobicContact CB-CZ3 3.67Å; L73-W75 HydrophobicContact CD1-CH2 3.58Å; L73-W75 HydrophobicContact CD1-CZ2 3.71Å; L73-W75 HydrophobicContact CG-CH2 4.08Å; L73-W75 HydrophobicContact CG-CZ2 4.23Å; W75-R141 CarbonylContact O-C 3.21Å; W75-R141 WeakPolarHBondContact O-CA 3.42Å; W75-I142 HydrophobicContact CE3-CB 4.32Å; W75-I142 HydrophobicContact CE3-CG2 4.13Å; W75-I142 PolarHBondContact N-O 3.01Å; W75-I142 PolarHBondContact O-N 3.48Å; W75-F144 HydrophobicContact CH2-CB 4.27Å; W75-F144 HydrophobicContact CZ3-CB 3.86Å; W75-F156 AromaticContact CH2-CZ 3.91Å; W75-F156 HydrophobicContact CH2-CZ 3.91Å; W75-F156 AromaticContact CZ3-CZ 3.94Å; W75-F156 HydrophobicContact CZ3-CZ 3.94Å |
| 76 | R | 96.9 | Very high | 92.9 | Very high | 52 Ų | 52 | 55.9 Ų | 55.9 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 111.1 | 167.1 | -175.5 | -175.3 | -65.9 | -115.6 | -4.5 | 108.4 | E47 R48 I49 I50 V78 | E47-R76 HydrophobicContact CG-CB 3.86Å; E47-R76 WeakPolarHBondContact OE1-CB 3.28Å; E47-R76 IonicContact OE1-CZ 3.36Å; E47-R76 IonicContact OE1-NE 2.89Å; E47-R76 PolarHBondContact OE1-NE 2.61Å; E47-R76 IonicContact OE1-NH2 2.96Å; E47-R76 PolarHBondContact OE1-NH2 3.45Å; E47-R76 IonicContact OE2-CZ 3.42Å; E47-R76 IonicContact OE2-NE 2.93Å; E47-R76 PolarHBondContact OE2-NE 3.08Å; E47-R76 IonicContact OE2-NH2 3.12Å; E47-R76 PolarHBondContact OE2-NH2 2.81Å; E47-R76 VanDerWaalsContact OE2-NH2 3.12Å; R48-R76 PolarHBondContact O-N 2.9Å; I49-R76 CarbonylContact C-O 3.54Å; I49-R76 WeakPolarHBondContact CA-O 3.35Å; I49-R76 HydrophobicContact CG1-CB 4.41Å; I50-R76 PolarHBondContact N-O 3.4Å; R76-V78 HydrophobicContact CG-CG2 3.85Å |
| 77 | L | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 128.4 | 171.3 | -59.9 | -171.8 | 0 | 0 | 0 | 108.4 | I50 V52 I58 I86 L88 Q139 I140 I142 Y160 | I50-L77 HydrophobicContact CB-CD2 3.58Å; I50-L77 HydrophobicContact CD1-CD2 3.91Å; I50-L77 HydrophobicContact CG1-CD2 4.26Å; I50-L77 HydrophobicContact CG2-CD2 3.85Å; I50-L77 WeakPolarHBondContact O-CA 3.26Å; V52-L77 HydrophobicContact CG2-CB 3.76Å; V52-L77 HydrophobicContact CG2-CD1 4.41Å; V52-L77 HydrophobicContact CG2-CD2 4.05Å; V52-L77 HydrophobicContact CG2-CG 4.3Å; I58-L77 HydrophobicContact CD1-CD1 4.29Å; I58-L77 HydrophobicContact CD1-CD2 3.69Å; I58-L77 HydrophobicContact CD1-CG 4.18Å; L77-I86 HydrophobicContact CB-CD1 3.79Å; L77-I86 HydrophobicContact CD1-CG2 3.94Å; L77-L88 HydrophobicContact CD1-CD2 3.86Å; L77-Q139 VanDerWaalsContact O-CA 3.24Å; L77-Q139 WeakPolarHBondContact O-CA 3.44Å; L77-I140 HydrophobicContact CB-CG2 3.77Å; L77-I140 HydrophobicContact CD1-CG2 4.01Å; L77-I140 HydrophobicContact CG-CG2 4.19Å; L77-I140 PolarHBondContact N-O 3.4Å; L77-I140 PolarHBondContact O-N 2.89Å; L77-I142 HydrophobicContact CD1-CD1 4.16Å; L77-I142 HydrophobicContact CG-CD1 4.46Å; L77-Y160 HydrophobicContact CD1-CD1 3.79Å; L77-Y160 HydrophobicContact CD1-CD2 4.22Å; L77-Y160 HydrophobicContact CD1-CE1 4.48Å; L77-Y160 HydrophobicContact CD1-CG 3.63Å; L77-Y160 HydrophobicContact CD2-CD1 4.4Å; L77-Y160 HydrophobicContact CD2-CE1 4.3Å |
| 78 | V | 95.9 | Very high | 93 | Very high | 34 Ų | 34 | 55.8 Ų | 55.8 | 21% | 0.206 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 111.1 | 177.8 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | I49 I50 T51 V52 R76 N138 Q139 | I49-V78 HydrophobicContact CG2-CG2 3.99Å; I50-V78 PolarHBondContact O-N 2.9Å; T51-V78 CarbonylContact C-O 3.26Å; T51-V78 WeakPolarHBondContact CA-O 3.38Å; V52-V78 PolarHBondContact N-O 2.85Å; R76-V78 HydrophobicContact CG-CG2 3.85Å; V78-N138 CarbonylContact C-O 3.55Å; V78-N138 WeakPolarHBondContact CA-O 3.5Å; V78-Q139 HydrophobicContact CB-CG 4.37Å; V78-Q139 HydrophobicContact CG1-CG 4.07Å; V78-Q139 HydrophobicContact CG2-CG 4.05Å |
| 79 | A | 94 | Very high | 92.9 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 140.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | V52 E81 V84 I86 N138 I162 | V52-A79 HydrophobicContact CB-CB 4.45Å; V52-A79 WeakPolarHBondContact O-CA 3.24Å; A79-E81 PolarHBondContact O-N 3.01Å; A79-V84 HydrophobicContact CB-CG2 3.42Å; A79-V84 VanDerWaalsContact CB-CG2 3.42Å; A79-I86 HydrophobicContact CB-CD1 4.18Å; A79-I86 HydrophobicContact CB-CG1 4.2Å; A79-N138 HydrophobicContact CB-CB 4.16Å; A79-N138 PolarHBondContact N-O 3.44Å; A79-N138 PolarHBondContact O-ND2 3.22Å; A79-I162 HydrophobicContact CB-CD1 4.45Å |
| 80 | V | 89.9 | Confident | 93 | Very high | 100 Ų | 100 | 49.6 Ų | 49.6 | 61% | 0.606 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -64.3 | -33 | -178.3 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | T51 V52 | T51-V80 HydrophobicContact CG2-CG2 3.3Å; V52-V80 PolarHBondContact O-N 2.79Å |
| 81 | E | 86.6 | Confident | 93 | Very high | 111 Ų | 111 | 45.8 Ų | 45.8 | 52% | 0.519 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -87.9 | 139.4 | 179.7 | -63.3 | 177.6 | -160.2 | 0 | 0 | 110.9 | A79 N83 V84 N138 | A79-E81 PolarHBondContact O-N 3.01Å; E81-N83 VanDerWaalsContact C-N 3.35Å; E81-N83 PolarHBondContact O-N 3.12Å; E81-V84 HydrophobicContact CB-CG1 3.88Å; E81-V84 HydrophobicContact CB-CG2 4.02Å; E81-V84 WeakPolarHBondContact O-CG2 3.36Å; E81-V84 WeakPolarHBondContact OE2-CG1 3.46Å; E81-N138 VanDerWaalsContact O-CB 3.28Å; E81-N138 WeakPolarHBondContact O-CB 3.32Å |
| 82 | E | 77 | Confident | 92.9 | Very high | 166 Ų | 166 | 53 Ų | 53 | 78% | 0.776 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -6.5 | -174.5 | -66.5 | -174.3 | 166.1 | 0 | 0 | 114.2 | ||
| 83 | N | 84.1 | Confident | 92.6 | Very high | 137 Ų | 137 | 56.8 Ų | 56.8 | 73% | 0.733 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.7 | 39.9 | -177.6 | -71 | -34.4 | 0 | 0 | 0 | 112.4 | E81 P165 | E81-N83 VanDerWaalsContact C-N 3.35Å; E81-N83 PolarHBondContact O-N 3.12Å; N83-P165 WeakPolarHBondContact O-CD 3.46Å; N83-P165 VanDerWaalsContact O-CG 3.28Å; N83-P165 WeakPolarHBondContact O-CG 3.25Å |
| 84 | V | 87.2 | Confident | 92.7 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | trans | -126.9 | 156.6 | 175.4 | -58.6 | 0 | 0 | 0 | 0 | 110.3 | A79 E81 G137 N138 I162 M164 | A79-V84 HydrophobicContact CB-CG2 3.42Å; A79-V84 VanDerWaalsContact CB-CG2 3.42Å; E81-V84 HydrophobicContact CB-CG1 3.88Å; E81-V84 HydrophobicContact CB-CG2 4.02Å; E81-V84 WeakPolarHBondContact O-CG2 3.36Å; E81-V84 WeakPolarHBondContact OE2-CG1 3.46Å; V84-G137 CarbonylContact O-C 3.56Å; V84-G137 VanDerWaalsContact O-C 3.26Å; V84-N138 VanDerWaalsContact O-CA 3.26Å; V84-N138 WeakPolarHBondContact O-CA 3.48Å; V84-N138 PolarHBondContact O-N 2.79Å; V84-I162 HydrophobicContact CB-CG2 3.45Å; V84-I162 VanDerWaalsContact CB-CG2 3.45Å; V84-I162 HydrophobicContact CG1-CG2 3.79Å; V84-I162 HydrophobicContact CG2-CG2 3.57Å; V84-M164 HydrophobicContact CG1-CG 4.49Å | ||
| 85 | W | 92.9 | Very high | 92.5 | Very high | 89 Ų | 89 | 54.1 Ų | 54.1 | 34% | 0.337 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 158.3 | 171.1 | -60.1 | -19 | 0 | 0 | 0 | 110.1 | I134 S135 K136 I162 V163 P165 | W85-I134 HydrophobicContact CB-CG2 3.92Å; W85-I134 HydrophobicContact CD2-CG2 4.19Å; W85-I134 HydrophobicContact CE3-CG2 3.65Å; W85-I134 HydrophobicContact CG-CG2 4.37Å; W85-I134 HydrophobicContact CZ3-CG2 4.48Å; W85-S135 VanDerWaalsContact CG-O 3.25Å; W85-K136 PolarHBondContact NE1-O 3.24Å; W85-K136 VanDerWaalsContact NE1-O 3.08Å; W85-I162 WeakPolarHBondContact O-CA 3.43Å; W85-V163 HydrophobicContact CB-CG2 3.77Å; W85-V163 PolarHBondContact N-O 2.94Å; W85-V163 PolarHBondContact O-N 2.72Å; W85-V163 VanDerWaalsContact O-O 3.06Å; W85-P165 HydrophobicContact CD2-CB 3.89Å; W85-P165 HydrophobicContact CE3-CB 4.31Å; W85-P165 HydrophobicContact CG-CB 4.42Å; W85-P165 HydrophobicContact CH2-CB 4.14Å; W85-P165 HydrophobicContact CZ2-CB 3.7Å; W85-P165 HydrophobicContact CZ3-CB 4.43Å |
| 86 | I | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.8 | 177.2 | -58.3 | 174.1 | 0 | 0 | 0 | 106.7 | V52 L77 A79 L88 S135 N138 I140 | V52-I86 HydrophobicContact CG2-CD1 4.33Å; L77-I86 HydrophobicContact CB-CD1 3.79Å; L77-I86 HydrophobicContact CD1-CG2 3.94Å; A79-I86 HydrophobicContact CB-CD1 4.18Å; A79-I86 HydrophobicContact CB-CG1 4.2Å; I86-L88 HydrophobicContact CG2-CD2 4.07Å; I86-S135 PolarHBondContact N-OG 2.79Å; I86-S135 PolarHBondContact O-N 2.78Å; I86-S135 PolarHBondContact O-OG 3.29Å; I86-N138 WeakPolarHBondContact CD1-O 3.3Å; I86-I140 HydrophobicContact CB-CG2 3.95Å; I86-I140 HydrophobicContact CD1-CG2 4.09Å; I86-I140 HydrophobicContact CG2-CG2 3.74Å |
| 87 | Q | 95.2 | Very high | 92.4 | Very high | 39 Ų | 39 | 52.2 Ų | 52.2 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 131.7 | 173.9 | -179.2 | -174.7 | -94.4 | 0 | 0 | 109.3 | Q133 I134 Y160 N161 V163 | Q87-Q133 CarbonylContact C-O 3.52Å; Q87-Q133 WeakPolarHBondContact CA-O 3.27Å; Q87-I134 HydrophobicContact CB-CG1 4.26Å; Q87-I134 HydrophobicContact CG-CG1 4.03Å; Q87-Y160 VanDerWaalsContact O-CA 3.24Å; Q87-Y160 WeakPolarHBondContact O-CA 3.15Å; Q87-N161 PolarHBondContact N-O 2.85Å; Q87-N161 PolarHBondContact NE2-OD1 3.02Å; Q87-N161 PolarHBondContact O-N 2.95Å; Q87-V163 HydrophobicContact CB-CG1 3.84Å; Q87-V163 HydrophobicContact CB-CG2 4.23Å |
| 88 | L | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 134 | 173.5 | -52.3 | -177.3 | 0 | 0 | 0 | 109.9 | L77 I86 V111 K132 Q133 I140 I142 I158 H159 | L77-L88 HydrophobicContact CD1-CD2 3.86Å; I86-L88 HydrophobicContact CG2-CD2 4.07Å; L88-V111 HydrophobicContact CD1-CG1 3.84Å; L88-V111 HydrophobicContact CD1-CG2 3.93Å; L88-K132 WeakPolarHBondContact O-CA 3.28Å; L88-Q133 HydrophobicContact CB-CB 4.21Å; L88-Q133 HydrophobicContact CD1-CB 4.49Å; L88-Q133 PolarHBondContact N-O 2.94Å; L88-Q133 PolarHBondContact O-N 3.44Å; L88-I140 HydrophobicContact CD1-CD1 3.63Å; L88-I140 HydrophobicContact CD1-CG1 4.2Å; L88-I140 HydrophobicContact CD1-CG2 4.49Å; L88-I140 HydrophobicContact CD2-CG2 4.33Å; L88-I140 HydrophobicContact CG-CD1 4.03Å; L88-I142 HydrophobicContact CD1-CD1 3.76Å; L88-I142 HydrophobicContact CD1-CG1 3.88Å; L88-I142 HydrophobicContact CD2-CD1 4.03Å; L88-I158 HydrophobicContact CB-CG2 3.81Å; L88-I158 HydrophobicContact CD1-CG2 4.45Å; L88-I158 HydrophobicContact CD2-CG2 4.07Å; L88-I158 HydrophobicContact CG-CG2 4.33Å; L88-H159 CarbonylContact C-O 3.55Å; L88-H159 WeakPolarHBondContact CA-O 3.3Å |
| 89 | T | 94.1 | Very high | 92 | Very high | 41 Ų | 41 | 58 Ų | 58 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 121.4 | 174.5 | -56.1 | 0 | 0 | 0 | 0 | 109.2 | K132 I158 H159 | T89-K132 HydrophobicContact CG2-CG 4.43Å; T89-I158 WeakPolarHBondContact O-CA 3.22Å; T89-H159 PolarHBondContact N-O 3.43Å; T89-H159 PolarHBondContact O-N 2.96Å |
| 90 | F | 96.1 | Very high | 91.8 | Very high | 12 Ų | 12 | 61.3 Ų | 61.3 | 5% | 0.053 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 137.3 | 178.3 | -69.9 | -108.7 | 0 | 0 | 0 | 110.1 | F94 V109 V111 W123 V129 P130 Q133 I158 | F90-F94 AromaticContact CD1-CD2 3.8Å; F90-F94 HydrophobicContact CD1-CD2 3.8Å; F90-F94 HydrophobicContact CD1-CE2 4.01Å; F90-F94 HydrophobicContact CE1-CD2 4.36Å; F90-F94 HydrophobicContact CE1-CE2 4.1Å; F90-V109 HydrophobicContact CE1-CG1 4.24Å; F90-V109 HydrophobicContact CZ-CG1 4.43Å; F90-V111 HydrophobicContact CZ-CG2 4.4Å; F90-W123 HydrophobicContact CE1-CE3 4.49Å; F90-W123 HydrophobicContact CZ-CD2 4.45Å; F90-W123 AromaticContact CZ-CE3 3.87Å; F90-W123 HydrophobicContact CZ-CE3 3.87Å; F90-W123 HydrophobicContact CZ-CZ3 4.03Å; F90-V129 HydrophobicContact CB-CG1 3.87Å; F90-P130 HydrophobicContact CB-CB 4.36Å; F90-P130 HydrophobicContact CB-CG 4.49Å; F90-P130 HydrophobicContact CD1-CB 3.95Å; F90-P130 HydrophobicContact CD1-CG 3.69Å; F90-P130 HydrophobicContact CD2-CB 3.63Å; F90-P130 HydrophobicContact CD2-CG 4.3Å; F90-P130 HydrophobicContact CE1-CB 4.09Å; F90-P130 HydrophobicContact CE1-CG 3.87Å; F90-P130 HydrophobicContact CE2-CB 3.78Å; F90-P130 HydrophobicContact CE2-CG 4.47Å; F90-P130 HydrophobicContact CG-CB 3.72Å; F90-P130 HydrophobicContact CG-CG 3.92Å; F90-P130 HydrophobicContact CZ-CB 4.01Å; F90-P130 HydrophobicContact CZ-CG 4.27Å; F90-Q133 HydrophobicContact CE2-CG 4.23Å; F90-I158 HydrophobicContact CD1-CD1 4.11Å; F90-I158 HydrophobicContact CD1-CG1 3.65Å; F90-I158 HydrophobicContact CD2-CG1 4.46Å; F90-I158 HydrophobicContact CE1-CD1 3.55Å; F90-I158 HydrophobicContact CE1-CG1 3.64Å; F90-I158 HydrophobicContact CE2-CG1 4.45Å; F90-I158 HydrophobicContact CG-CG1 4.09Å; F90-I158 HydrophobicContact CZ-CD1 3.81Å; F90-I158 HydrophobicContact CZ-CG1 4.06Å |
| 91 | D | 94.1 | Very high | 91.7 | Very high | 27 Ų | 27 | 63.3 Ų | 63.3 | 14% | 0.144 | 31% | 0.307 | C | S | . | . | trans | -63.6 | 143.6 | 171.2 | -172.4 | -68.1 | 0 | 0 | 0 | 109.5 | F63 R93 F94 C157 H159 | F63-D91 HydrophobicContact CZ-CB 4.36Å; D91-R93 PolarHBondContact O-N 2.86Å; D91-R93 VanDerWaalsContact O-N 3.08Å; D91-R93 WeakPolarHBondContact OD1-CB 3.21Å; D91-R93 IonicContact OD1-CZ 3.66Å; D91-R93 PolarHBondContact OD1-N 3.22Å; D91-R93 IonicContact OD1-NE 3.92Å; D91-R93 PolarHBondContact OD1-NE 3.3Å; D91-R93 IonicContact OD1-NH2 2.62Å; D91-R93 IonicContact OD2-CZ 3.33Å; D91-R93 IonicContact OD2-NE 3.63Å; D91-R93 IonicContact OD2-NH2 3.91Å; D91-R93 PolarHBondContact OD2-NH2 2.98Å; D91-F94 PolarHBondContact O-N 2.81Å; D91-C157 HydrophobicContact CB-CB 3.74Å; D91-C157 VanDerWaalsContact CB-O 3.3Å; D91-C157 WeakPolarHBondContact CB-O 3.36Å; D91-C157 PolarHBondContact N-O 3.02Å; D91-H159 IonicContact OD2-CE1 2.67Å | ||
| 92 | E | 92 | Very high | 91.7 | Very high | 174 Ų | 174 | 65.5 Ų | 65.5 | 81% | 0.813 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -21.2 | -177 | -64.1 | -177.2 | 168.4 | 0 | 0 | 113.1 | F94 V129 | E92-F94 PolarHBondContact O-N 2.91Å; E92-V129 WeakPolarHBondContact O-CG2 3.15Å |
| 93 | R | 90 | Very high | 92.3 | Very high | 125 Ų | 125 | 62.6 Ų | 62.6 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 35.1 | 177 | -61.3 | 170.2 | -65.7 | 176.9 | -0.8 | 112.1 | F63 D91 G95 P154 | F63-R93 HydrophobicContact CE2-CB 4.42Å; F63-R93 HydrophobicContact CZ-CB 4.15Å; D91-R93 PolarHBondContact O-N 2.86Å; D91-R93 VanDerWaalsContact O-N 3.08Å; D91-R93 WeakPolarHBondContact OD1-CB 3.21Å; D91-R93 IonicContact OD1-CZ 3.66Å; D91-R93 PolarHBondContact OD1-N 3.22Å; D91-R93 IonicContact OD1-NE 3.92Å; D91-R93 PolarHBondContact OD1-NE 3.3Å; D91-R93 IonicContact OD1-NH2 2.62Å; D91-R93 IonicContact OD2-CZ 3.33Å; D91-R93 IonicContact OD2-NE 3.63Å; D91-R93 IonicContact OD2-NH2 3.91Å; D91-R93 PolarHBondContact OD2-NH2 2.98Å; R93-G95 PolarHBondContact O-N 3.49Å; R93-P154 HydrophobicContact CB-CB 4.2Å; R93-P154 HydrophobicContact CB-CG 3.95Å; R93-P154 WeakPolarHBondContact O-CB 3.36Å; R93-P154 WeakPolarHBondContact O-CD 3.12Å; R93-P154 WeakPolarHBondContact O-CG 3.24Å |
| 94 | F | 96.3 | Very high | 92.7 | Very high | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.035 | 28% | 0.283 | C | S | . | . | trans | -70.1 | 126.7 | 174 | -179 | -92.8 | 0 | 0 | 0 | 110.2 | F90 D91 E92 L96 W123 G125 V129 P130 F156 | F90-F94 AromaticContact CD1-CD2 3.8Å; F90-F94 HydrophobicContact CD1-CD2 3.8Å; F90-F94 HydrophobicContact CD1-CE2 4.01Å; F90-F94 HydrophobicContact CE1-CD2 4.36Å; F90-F94 HydrophobicContact CE1-CE2 4.1Å; D91-F94 PolarHBondContact O-N 2.81Å; E92-F94 PolarHBondContact O-N 2.91Å; F94-L96 HydrophobicContact CE2-CD1 4.14Å; F94-L96 HydrophobicContact CE2-CG 4.28Å; F94-L96 HydrophobicContact CZ-CD1 3.78Å; F94-L96 HydrophobicContact CZ-CG 3.96Å; F94-W123 HydrophobicContact CE1-CB 4.3Å; F94-W123 HydrophobicContact CZ-CB 3.87Å; F94-G125 WeakPolarHBondContact CE1-O 3.22Å; F94-V129 HydrophobicContact CB-CG1 4.38Å; F94-V129 HydrophobicContact CB-CG2 4.49Å; F94-P130 HydrophobicContact CD1-CG 4.27Å; F94-P130 HydrophobicContact CD2-CG 4.37Å; F94-P130 HydrophobicContact CE1-CG 4.17Å; F94-P130 HydrophobicContact CE2-CG 4.28Å; F94-P130 HydrophobicContact CG-CG 4.37Å; F94-P130 HydrophobicContact CZ-CG 4.17Å; F94-F156 HydrophobicContact CD2-CB 3.59Å; F94-F156 HydrophobicContact CE2-CB 3.81Å | ||
| 95 | G | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -161.1 | 112 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R93 G125 G155 | R93-G95 PolarHBondContact O-N 3.49Å; G95-G125 WeakPolarHBondContact CA-O 3.17Å; G95-G155 PolarHBondContact N-O 3.3Å; G95-G155 CarbonylContact O-C 3.59Å; G95-G155 WeakPolarHBondContact O-CA 3.48Å; G95-G155 PolarHBondContact O-N 3.33Å |
| 96 | L | 96.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | trans | -117.2 | -179.1 | 169.8 | -60.8 | -179.3 | 0 | 0 | 0 | 109.7 | Y67 F94 D107 V109 C124 G125 F144 S152 F156 | Y67-L96 HydrophobicContact CD1-CD2 3.83Å; Y67-L96 HydrophobicContact CE1-CD2 3.37Å; F94-L96 HydrophobicContact CE2-CD1 4.14Å; F94-L96 HydrophobicContact CE2-CG 4.28Å; F94-L96 HydrophobicContact CZ-CD1 3.78Å; F94-L96 HydrophobicContact CZ-CG 3.96Å; L96-D107 HydrophobicContact CB-CB 4.42Å; L96-V109 HydrophobicContact CD1-CG2 4.09Å; L96-C124 HydrophobicContact CB-CB 4.42Å; L96-G125 PolarHBondContact N-O 2.82Å; L96-G125 VanDerWaalsContact N-O 3.08Å; L96-G125 CarbonylContact O-C 3.54Å; L96-G125 WeakPolarHBondContact O-CA 3.18Å; L96-F144 HydrophobicContact CD1-CE2 4.27Å; L96-F144 HydrophobicContact CD2-CE2 3.88Å; L96-S152 WeakPolarHBondContact O-CB 3.23Å; L96-S152 PolarHBondContact O-OG 2.93Å; L96-F156 HydrophobicContact CD2-CD1 4.36Å | ||
| 97 | E | 94.9 | Very high | 93 | Very high | 29 Ų | 29 | 61.8 Ų | 61.8 | 14% | 0.136 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 141.5 | 170.6 | -169.9 | 176.7 | -175.4 | 0 | 0 | 110.9 | Y67 Y106 D107 C124 G125 F150 | Y67-E97 PolarHBondContact OH-N 3.07Å; Y67-E97 VanDerWaalsContact OH-N 3.1Å; E97-Y106 WeakPolarHBondContact OE2-CB 3.36Å; E97-D107 HydrophobicContact CB-CB 3.86Å; E97-C124 WeakPolarHBondContact O-CB 3.4Å; E97-G125 WeakPolarHBondContact O-CA 2.96Å; E97-G125 PolarHBondContact O-N 3.07Å; E97-F150 HydrophobicContact CG-CB 4.47Å |
| 98 | D | 92.6 | Very high | 93.1 | Very high | 101 Ų | 101 | 60.5 Ų | 60.5 | 54% | 0.54 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 150.9 | -177.4 | -74 | -40.3 | 0 | 0 | 0 | 112.1 | G125 | D98-G125 WeakPolarHBondContact OD1-CA 3.33Š|
| 99 | P | 92.3 | Very high | 93.2 | Very high | 54 Ų | 54 | 60.5 Ų | 60.5 | 35% | 0.351 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 152.9 | 178.6 | 26.6 | -34 | 0 | 0 | 0 | 112.6 | ||
| 100 | E | 89.4 | Confident | 93.3 | Very high | 72 Ų | 72 | 58.8 Ų | 58.8 | 34% | 0.336 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -104.1 | 125.2 | 165.3 | -179.8 | -176.5 | -152.8 | 0 | 0 | 108.2 | D102 I103 K105 Y106 | E100-D102 VanDerWaalsContact C-N 3.26Å; E100-D102 PolarHBondContact O-N 3.4Å; E100-I103 PolarHBondContact N-O 3.3Å; E100-I103 VanDerWaalsContact N-O 3.12Å; E100-I103 WeakPolarHBondContact O-CA 3.3Å; E100-I103 WeakPolarHBondContact O-CB 3.42Å; E100-I103 PolarHBondContact O-N 2.82Å; E100-K105 WeakPolarHBondContact OE2-CD 3.39Å; E100-K105 IonicContact OE2-NZ 3.56Å; E100-K105 PolarHBondContact OE2-NZ 2.64Å; E100-Y106 HydrophobicContact CB-CE2 3.8Å; E100-Y106 VanDerWaalsContact CD-OH 3.23Å; E100-Y106 PolarHBondContact OE1-OH 3.21Å; E100-Y106 VanDerWaalsContact OE2-CZ 3.3Å; E100-Y106 PolarHBondContact OE2-OH 2.67Å |
| 101 | D | 88.9 | Confident | 93.4 | Very high | 141 Ų | 141 | 58.2 Ų | 58.2 | 75% | 0.754 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 42.6 | -177.3 | -60.6 | -39.1 | 0 | 0 | 0 | 113.3 | I103 | D101-I103 PolarHBondContact O-N 2.84Š|
| 102 | D | 86.4 | Confident | 93.4 | Very high | 158 Ų | 158 | 58 Ų | 58 | 85% | 0.845 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 17.8 | -174.8 | -60 | -46.4 | 0 | 0 | 0 | 114.7 | E100 | E100-D102 VanDerWaalsContact C-N 3.26Å; E100-D102 PolarHBondContact O-N 3.4Å |
| 103 | I | 89.3 | Confident | 93.5 | Very high | 105 Ų | 105 | 49.9 Ų | 49.9 | 54% | 0.538 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -115.6 | 126.7 | 179.7 | -59.9 | 166.3 | 0 | 0 | 0 | 110.7 | E100 D101 K105 | E100-I103 PolarHBondContact N-O 3.3Å; E100-I103 VanDerWaalsContact N-O 3.12Å; E100-I103 WeakPolarHBondContact O-CA 3.3Å; E100-I103 WeakPolarHBondContact O-CB 3.42Å; E100-I103 PolarHBondContact O-N 2.82Å; D101-I103 PolarHBondContact O-N 2.84Å; I103-K105 VanDerWaalsContact C-N 3.31Å; I103-K105 HydrophobicContact CG2-CB 4.4Å; I103-K105 PolarHBondContact O-N 2.8Å |
| 104 | C | 91.8 | Very high | 93.5 | Very high | 19 Ų | 19 | 45.4 Ų | 45.4 | 13% | 0.128 | 23% | 0.232 | C | C | . | . | trans | -76.4 | 79.7 | 173.1 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | F108 R122 W123 C124 | C104-F108 HydrophobicContact CB-CB 3.97Å; C104-R122 HydrophobicContact CB-CG 4.07Å; C104-R122 WeakPolarHBondContact O-CD 3.22Å; C104-W123 VanDerWaalsContact SG-C 3.59Å; C104-C124 WeakPolarHBondContact CA-SG 3.27Å; C104-C124 HydrophobicContact CB-CB 3.55Å; C104-C124 WeakPolarHBondContact CB-SG 3.43Å; C104-C124 WeakPolarHBondContact SG-CB 3.41Å; C104-C124 PolarHBondContact SG-N 2.97Å; C104-C124 CovalentContact SG-SG 2.03Å; C104-C124 PolarHBondContact SG-SG 2.91Å | ||
| 105 | K | 92 | Very high | 93.1 | Very high | 120 Ų | 120 | 49.7 Ų | 49.7 | 52% | 0.522 | 26% | 0.263 | S | S | . | . | trans | -93.4 | -36.6 | -173.6 | 179.9 | 176.3 | 156.5 | -154.8 | 0 | 113.7 | E100 I103 | E100-K105 WeakPolarHBondContact OE2-CD 3.39Å; E100-K105 IonicContact OE2-NZ 3.56Å; E100-K105 PolarHBondContact OE2-NZ 2.64Å; I103-K105 VanDerWaalsContact C-N 3.31Å; I103-K105 HydrophobicContact CG2-CB 4.4Å; I103-K105 PolarHBondContact O-N 2.8Å | ||
| 106 | Y | 93.1 | Very high | 92.8 | Very high | 71 Ų | 71 | 54 Ų | 54 | 28% | 0.278 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -87.5 | -84.6 | -174.7 | -55 | -65.6 | 0 | 0 | 0 | 110.6 | E97 E100 D147 | E97-Y106 WeakPolarHBondContact OE2-CB 3.36Å; E100-Y106 HydrophobicContact CB-CE2 3.8Å; E100-Y106 VanDerWaalsContact CD-OH 3.23Å; E100-Y106 PolarHBondContact OE1-OH 3.21Å; E100-Y106 VanDerWaalsContact OE2-CZ 3.3Å; E100-Y106 PolarHBondContact OE2-OH 2.67Å; Y106-D147 WeakPolarHBondContact CD1-OD2 3.43Å |
| 107 | D | 96.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -101.7 | 130.1 | 178.5 | -61.8 | -18.1 | 0 | 0 | 0 | 111 | Y67 L96 E97 C124 V145 S146 D147 | Y67-D107 HydrophobicContact CE2-CB 4.38Å; Y67-D107 WeakPolarHBondContact CE2-OD2 3.33Å; Y67-D107 PolarHBondContact OH-OD2 2.77Å; L96-D107 HydrophobicContact CB-CB 4.42Å; E97-D107 HydrophobicContact CB-CB 3.86Å; D107-C124 WeakPolarHBondContact O-CB 3.49Å; D107-V145 WeakPolarHBondContact CA-O 3.35Å; D107-S146 WeakPolarHBondContact OD1-CA 3.46Å; D107-S146 WeakPolarHBondContact OD1-CB 3.42Å; D107-D147 PolarHBondContact OD1-N 2.81Å |
| 108 | F | 97.4 | Very high | 92.1 | Very high | 12 Ų | 12 | 56.2 Ų | 56.2 | 5% | 0.053 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 154.9 | -179.8 | 60.7 | -95 | 0 | 0 | 0 | 113.9 | C104 E110 R122 W123 R143 F144 V145 | C104-F108 HydrophobicContact CB-CB 3.97Å; F108-E110 HydrophobicContact CD2-CB 4.06Å; F108-E110 HydrophobicContact CE2-CB 4.17Å; F108-R122 HydrophobicContact CB-CG 3.76Å; F108-R122 HydrophobicContact CD2-CG 3.79Å; F108-R122 HydrophobicContact CG-CG 3.86Å; F108-W123 VanDerWaalsContact CA-O 3.27Å; F108-W123 WeakPolarHBondContact CA-O 3.34Å; F108-R143 VanDerWaalsContact CE2-NH2 3.3Å; F108-F144 WeakPolarHBondContact O-CA 3.32Å; F108-F144 VanDerWaalsContact O-CD2 3.31Å; F108-F144 WeakPolarHBondContact O-CD2 3.36Å; F108-V145 HydrophobicContact CD1-CB 4.34Å; F108-V145 HydrophobicContact CD2-CB 4.47Å; F108-V145 HydrophobicContact CE1-CB 3.82Å; F108-V145 HydrophobicContact CE1-CG1 4.11Å; F108-V145 HydrophobicContact CE1-CG2 4.28Å; F108-V145 HydrophobicContact CE2-CB 3.95Å; F108-V145 HydrophobicContact CE2-CG2 3.77Å; F108-V145 HydrophobicContact CZ-CB 3.6Å; F108-V145 HydrophobicContact CZ-CG1 4.18Å; F108-V145 HydrophobicContact CZ-CG2 3.56Å; F108-V145 PolarHBondContact N-O 2.96Å; F108-V145 PolarHBondContact O-N 2.78Å |
| 109 | V | 97.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130.9 | 159.2 | 174.7 | 0 | 0 | 0 | 0 | 108.8 | F90 L96 R122 W123 I142 R143 F144 F156 I158 | F90-V109 HydrophobicContact CE1-CG1 4.24Å; F90-V109 HydrophobicContact CZ-CG1 4.43Å; L96-V109 HydrophobicContact CD1-CG2 4.09Å; V109-R122 CarbonylContact O-C 3.57Å; V109-R122 WeakPolarHBondContact O-CA 3.37Å; V109-W123 PolarHBondContact N-O 2.7Å; V109-W123 PolarHBondContact O-N 2.89Å; V109-I142 HydrophobicContact CG1-CG2 3.89Å; V109-R143 CarbonylContact C-O 3.51Å; V109-R143 WeakPolarHBondContact CA-O 3.34Å; V109-F144 HydrophobicContact CG2-CB 4.29Å; V109-F144 HydrophobicContact CG2-CD2 3.79Å; V109-F144 HydrophobicContact CG2-CG 4.45Å; V109-F156 HydrophobicContact CG2-CD1 3.45Å; V109-F156 VanDerWaalsContact CG2-CD1 3.45Å; V109-F156 HydrophobicContact CG2-CD2 4.18Å; V109-F156 HydrophobicContact CG2-CE1 3.46Å; V109-F156 VanDerWaalsContact CG2-CE1 3.46Å; V109-F156 HydrophobicContact CG2-CE2 4.18Å; V109-F156 HydrophobicContact CG2-CG 3.83Å; V109-F156 HydrophobicContact CG2-CZ 3.84Å; V109-I158 HydrophobicContact CG1-CD1 3.96Å |
| 110 | E | 97.5 | Very high | 92 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 2% | 0.023 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.5 | 176.3 | 179.9 | 172.9 | 75.8 | 0 | 0 | 109.6 | F108 I119 G121 R122 I142 R143 | F108-E110 HydrophobicContact CD2-CB 4.06Å; F108-E110 HydrophobicContact CE2-CB 4.17Å; E110-I119 HydrophobicContact CG-CG2 3.91Å; E110-G121 WeakPolarHBondContact CA-O 3.24Å; E110-R122 HydrophobicContact CB-CG 4.42Å; E110-R122 IonicContact OE2-CZ 2.92Å; E110-R122 IonicContact OE2-NE 3.82Å; E110-R122 PolarHBondContact OE2-NE 2.93Å; E110-R122 IonicContact OE2-NH2 3.82Å; E110-R122 PolarHBondContact OE2-NH2 2.84Å; E110-I142 CarbonylContact O-C 3.59Å; E110-I142 WeakPolarHBondContact O-CA 3.46Å; E110-R143 HydrophobicContact CB-CB 4.45Å; E110-R143 PolarHBondContact N-O 2.71Å; E110-R143 PolarHBondContact O-N 2.81Å; E110-R143 IonicContact OE1-CZ 3.07Å; E110-R143 VanDerWaalsContact OE1-CZ 3.25Å; E110-R143 IonicContact OE1-NE 3.21Å; E110-R143 PolarHBondContact OE1-NE 2.78Å; E110-R143 IonicContact OE1-NH2 2.64Å; E110-R143 PolarHBondContact OE1-NH2 2.86Å; E110-R143 IonicContact OE2-NH2 3.67Å |
| 111 | V | 97.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 130.2 | 175.6 | 177 | 0 | 0 | 0 | 0 | 108.1 | L88 F90 L120 G121 W123 I140 R141 I142 | L88-V111 HydrophobicContact CD1-CG1 3.84Å; L88-V111 HydrophobicContact CD1-CG2 3.93Å; F90-V111 HydrophobicContact CZ-CG2 4.4Å; V111-L120 HydrophobicContact CB-CB 4.41Å; V111-L120 HydrophobicContact CG1-CB 4.18Å; V111-L120 HydrophobicContact CG1-CD1 3.89Å; V111-L120 HydrophobicContact CG1-CG 4.35Å; V111-L120 PolarHBondContact O-N 3.14Å; V111-G121 PolarHBondContact N-O 2.67Å; V111-G121 PolarHBondContact O-N 3.03Å; V111-W123 HydrophobicContact CB-CH2 4.15Å; V111-W123 HydrophobicContact CB-CZ3 3.79Å; V111-W123 HydrophobicContact CG2-CH2 4.23Å; V111-W123 HydrophobicContact CG2-CZ3 3.58Å; V111-I140 HydrophobicContact CG1-CD1 3.52Å; V111-I140 HydrophobicContact CG1-CG1 3.67Å; V111-R141 CarbonylContact C-O 3.59Å; V111-R141 WeakPolarHBondContact CA-O 3.41Å; V111-I142 HydrophobicContact CG2-CG1 4.31Å |
| 112 | E | 94.9 | Very high | 92.5 | Very high | 23 Ų | 23 | 51.1 Ų | 51.1 | 11% | 0.107 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 151.3 | -176.3 | 70.4 | -174.5 | 163.6 | 0 | 0 | 112.8 | P114 T118 R141 | E112-P114 WeakPolarHBondContact O-CD 3.24Å; E112-T118 CarbonylContact C-O 3.55Å; E112-T118 VanDerWaalsContact CA-O 3.24Å; E112-T118 WeakPolarHBondContact CA-O 3.15Å; E112-R141 HydrophobicContact CG-CB 3.69Å; E112-R141 HydrophobicContact CG-CG 3.89Å; E112-R141 PolarHBondContact N-O 2.82Å; E112-R141 PolarHBondContact O-N 2.83Å; E112-R141 WeakPolarHBondContact OE1-CD 3.25Å; E112-R141 VanDerWaalsContact OE1-CG 3.3Å; E112-R141 WeakPolarHBondContact OE1-CG 3.46Å; E112-R141 IonicContact OE1-CZ 3.89Å; E112-R141 IonicContact OE1-NE 3.07Å; E112-R141 PolarHBondContact OE1-NE 3.06Å; E112-R141 IonicContact OE1-NH1 2.96Å; E112-R141 PolarHBondContact OE1-NH1 3.23Å |
| 113 | E | 93.4 | Very high | 93 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | trans | -79.1 | 113.4 | 171 | -74.5 | -65.8 | 165.4 | 0 | 0 | 109.6 | S115 D116 G117 T118 L120 S135 K136 | E113-S115 PolarHBondContact O-N 3Å; E113-D116 VanDerWaalsContact CB-OD1 3.23Å; E113-D116 WeakPolarHBondContact CB-OD1 3.37Å; E113-G117 VanDerWaalsContact O-CA 3.22Å; E113-G117 WeakPolarHBondContact O-CA 3.38Å; E113-G117 PolarHBondContact O-N 2.75Å; E113-T118 PolarHBondContact N-O 2.84Å; E113-L120 HydrophobicContact CG-CD2 3.94Å; E113-L120 HydrophobicContact CG-CG 4.3Å; E113-S135 VanDerWaalsContact OE1-CA 3.27Å; E113-S135 WeakPolarHBondContact OE1-CA 3.35Å; E113-K136 HydrophobicContact CG-CD 4.11Å; E113-K136 HydrophobicContact CG-CG 4.36Å; E113-K136 WeakPolarHBondContact OE1-CG 3.38Å; E113-K136 PolarHBondContact OE1-N 3.09Å | ||
| 114 | P | 89.8 | Confident | 93.3 | Very high | 31 Ų | 31 | 41.8 Ų | 41.8 | 20% | 0.201 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -15.4 | -176.1 | -14.3 | 28.2 | 0 | 0 | 0 | 113.7 | E112 Q139 R141 | E112-P114 WeakPolarHBondContact O-CD 3.24Å; P114-Q139 HydrophobicContact CG-CB 4.04Å; P114-R141 HydrophobicContact CG-CB 3.78Å |
| 115 | S | 87.3 | Confident | 93.4 | Very high | 98 Ų | 98 | 41 Ų | 41 | 69% | 0.685 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -40.8 | -178 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | E113 | E113-S115 PolarHBondContact O-N 3Š|
| 116 | D | 89 | Confident | 93.2 | Very high | 90 Ų | 90 | 38.9 Ų | 38.9 | 48% | 0.481 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | -5.3 | -175.2 | 64 | 15.8 | 0 | 0 | 0 | 113.7 | E113 T118 K136 | E113-D116 VanDerWaalsContact CB-OD1 3.23Å; E113-D116 WeakPolarHBondContact CB-OD1 3.37Å; D116-T118 VanDerWaalsContact C-N 3.27Å; D116-T118 PolarHBondContact O-N 3.13Å; D116-T118 WeakPolarHBondContact OD1-CB 3.42Å; D116-T118 PolarHBondContact OD1-N 2.8Å; D116-T118 PolarHBondContact OD1-OG1 2.75Å; D116-T118 PolarHBondContact OD2-OG1 3.28Å; D116-T118 VanDerWaalsContact OD2-OG1 3.07Å; D116-K136 IonicContact OD2-NZ 3.35Å; D116-K136 PolarHBondContact OD2-NZ 2.97Å; D116-K136 VanDerWaalsContact OD2-NZ 3.07Å |
| 117 | G | 87.2 | Confident | 92.4 | Very high | 44 Ų | 44 | 38.9 Ų | 38.9 | 45% | 0.454 | 24% | 0.243 | S | C | . | . | trans | 75.1 | 12.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | E113 I119 | E113-G117 VanDerWaalsContact O-CA 3.22Å; E113-G117 WeakPolarHBondContact O-CA 3.38Å; E113-G117 PolarHBondContact O-N 2.75Å; G117-I119 PolarHBondContact O-N 2.85Å | ||
| 118 | T | 89.6 | Confident | 91.8 | Very high | 34 Ų | 34 | 44.6 Ų | 44.6 | 21% | 0.209 | 28% | 0.278 | C | S | . | . | trans | -65 | 123.6 | 178.4 | -58.2 | 0 | 0 | 0 | 0 | 109.9 | E112 E113 D116 L120 | E112-T118 CarbonylContact C-O 3.55Å; E112-T118 VanDerWaalsContact CA-O 3.24Å; E112-T118 WeakPolarHBondContact CA-O 3.15Å; E113-T118 PolarHBondContact N-O 2.84Å; D116-T118 VanDerWaalsContact C-N 3.27Å; D116-T118 PolarHBondContact O-N 3.13Å; D116-T118 WeakPolarHBondContact OD1-CB 3.42Å; D116-T118 PolarHBondContact OD1-N 2.8Å; D116-T118 PolarHBondContact OD1-OG1 2.75Å; D116-T118 PolarHBondContact OD2-OG1 3.28Å; D116-T118 VanDerWaalsContact OD2-OG1 3.07Å; T118-L120 PolarHBondContact O-N 3.03Å | ||
| 119 | I | 91.6 | Very high | 91.3 | Very high | 92 Ų | 92 | 46.7 Ų | 46.7 | 47% | 0.472 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 116.1 | 172 | -61.3 | 168.7 | 0 | 0 | 0 | 108.4 | E110 G117 | E110-I119 HydrophobicContact CG-CG2 3.91Å; G117-I119 PolarHBondContact O-N 2.85Å |
| 120 | L | 91.1 | Very high | 91 | Very high | 51 Ų | 51 | 47.2 Ų | 47.2 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -34.2 | 173.9 | -61.4 | -172.6 | 0 | 0 | 0 | 111.1 | V111 E113 T118 I140 | V111-L120 HydrophobicContact CB-CB 4.41Å; V111-L120 HydrophobicContact CG1-CB 4.18Å; V111-L120 HydrophobicContact CG1-CD1 3.89Å; V111-L120 HydrophobicContact CG1-CG 4.35Å; V111-L120 PolarHBondContact O-N 3.14Å; E113-L120 HydrophobicContact CG-CD2 3.94Å; E113-L120 HydrophobicContact CG-CG 4.3Å; T118-L120 PolarHBondContact O-N 3.03Å; L120-I140 HydrophobicContact CD1-CD1 3.93Å |
| 121 | G | 93.7 | Very high | 90.7 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.6 | 169.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E110 V111 W123 | E110-G121 WeakPolarHBondContact CA-O 3.24Å; V111-G121 PolarHBondContact N-O 2.67Å; V111-G121 PolarHBondContact O-N 3.03Å; G121-W123 WeakPolarHBondContact O-CZ3 3.31Å |
| 122 | R | 95.5 | Very high | 90.4 | Very high | 103 Ų | 103 | 55.9 Ų | 55.9 | 39% | 0.389 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 130 | 176.7 | -176.3 | -175.8 | -69.1 | -171.7 | 0.7 | 108.5 | C104 F108 V109 E110 | C104-R122 HydrophobicContact CB-CG 4.07Å; C104-R122 WeakPolarHBondContact O-CD 3.22Å; F108-R122 HydrophobicContact CB-CG 3.76Å; F108-R122 HydrophobicContact CD2-CG 3.79Å; F108-R122 HydrophobicContact CG-CG 3.86Å; V109-R122 CarbonylContact O-C 3.57Å; V109-R122 WeakPolarHBondContact O-CA 3.37Å; E110-R122 HydrophobicContact CB-CG 4.42Å; E110-R122 IonicContact OE2-CZ 2.92Å; E110-R122 IonicContact OE2-NE 3.82Å; E110-R122 PolarHBondContact OE2-NE 2.93Å; E110-R122 IonicContact OE2-NH2 3.82Å; E110-R122 PolarHBondContact OE2-NH2 2.84Å |
| 123 | W | 96.6 | Very high | 90.3 | Very high | 48 Ų | 48 | 56.4 Ų | 56.4 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 145.9 | -171.4 | -56.2 | -85.1 | 0 | 0 | 0 | 112.6 | F90 F94 C104 F108 V109 V111 G121 P130 Q133 | F90-W123 HydrophobicContact CE1-CE3 4.49Å; F90-W123 HydrophobicContact CZ-CD2 4.45Å; F90-W123 AromaticContact CZ-CE3 3.87Å; F90-W123 HydrophobicContact CZ-CE3 3.87Å; F90-W123 HydrophobicContact CZ-CZ3 4.03Å; F94-W123 HydrophobicContact CE1-CB 4.3Å; F94-W123 HydrophobicContact CZ-CB 3.87Å; C104-W123 VanDerWaalsContact SG-C 3.59Å; F108-W123 VanDerWaalsContact CA-O 3.27Å; F108-W123 WeakPolarHBondContact CA-O 3.34Å; V109-W123 PolarHBondContact N-O 2.7Å; V109-W123 PolarHBondContact O-N 2.89Å; V111-W123 HydrophobicContact CB-CH2 4.15Å; V111-W123 HydrophobicContact CB-CZ3 3.79Å; V111-W123 HydrophobicContact CG2-CH2 4.23Å; V111-W123 HydrophobicContact CG2-CZ3 3.58Å; G121-W123 WeakPolarHBondContact O-CZ3 3.31Å; W123-P130 HydrophobicContact CB-CB 4.42Å; W123-P130 HydrophobicContact CB-CG 3.59Å; W123-P130 HydrophobicContact CD2-CB 3.81Å; W123-P130 HydrophobicContact CD2-CG 3.95Å; W123-P130 HydrophobicContact CG-CB 3.7Å; W123-P130 HydrophobicContact CG-CG 3.4Å; W123-Q133 HydrophobicContact CH2-CG 3.69Å; W123-Q133 HydrophobicContact CZ2-CG 4.13Å |
| 124 | C | 95.3 | Very high | 90.2 | Very high | 18 Ų | 18 | 60 Ų | 60 | 12% | 0.122 | 37% | 0.367 | C | S | . | . | trans | -156.2 | -178.2 | 179.5 | 65.2 | 0 | 0 | 0 | 0 | 109.8 | L96 E97 C104 D107 | L96-C124 HydrophobicContact CB-CB 4.42Å; E97-C124 WeakPolarHBondContact O-CB 3.4Å; C104-C124 WeakPolarHBondContact CA-SG 3.27Å; C104-C124 HydrophobicContact CB-CB 3.55Å; C104-C124 WeakPolarHBondContact CB-SG 3.43Å; C104-C124 WeakPolarHBondContact SG-CB 3.41Å; C104-C124 PolarHBondContact SG-N 2.97Å; C104-C124 CovalentContact SG-SG 2.03Å; C104-C124 PolarHBondContact SG-SG 2.91Å; D107-C124 WeakPolarHBondContact O-CB 3.49Å | ||
| 125 | G | 93.7 | Very high | 90.4 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 69.7 | -174.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F94 G95 L96 E97 D98 | F94-G125 WeakPolarHBondContact CE1-O 3.22Å; G95-G125 WeakPolarHBondContact CA-O 3.17Å; L96-G125 PolarHBondContact N-O 2.82Å; L96-G125 VanDerWaalsContact N-O 3.08Å; L96-G125 CarbonylContact O-C 3.54Å; L96-G125 WeakPolarHBondContact O-CA 3.18Å; E97-G125 WeakPolarHBondContact O-CA 2.96Å; E97-G125 PolarHBondContact O-N 3.07Å; D98-G125 WeakPolarHBondContact OD1-CA 3.33Å |
| 126 | S | 88.3 | Confident | 90.4 | Very high | 76 Ų | 76 | 59 Ų | 59 | 53% | 0.531 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -123.6 | -2.3 | -178.8 | 60.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 127 | G | 76.6 | Confident | 90.4 | Very high | 71 Ų | 71 | 56 Ų | 56 | 73% | 0.732 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -76.1 | -22.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 128 | T | 83 | Confident | 90.7 | Very high | 121 Ų | 121 | 55.6 Ų | 55.6 | 74% | 0.742 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -152.7 | 130.3 | 179.8 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | ||
| 129 | V | 88.2 | Confident | 90.9 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 35% | 0.345 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 132.4 | 176.9 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | F90 E92 F94 G131 | F90-V129 HydrophobicContact CB-CG1 3.87Å; E92-V129 WeakPolarHBondContact O-CG2 3.15Å; F94-V129 HydrophobicContact CB-CG1 4.38Å; F94-V129 HydrophobicContact CB-CG2 4.49Å; V129-G131 PolarHBondContact O-N 2.97Å |
| 130 | P | 92.3 | Very high | 91.2 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 7% | 0.071 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 139.7 | 177.8 | -26.8 | 36.6 | 0 | 0 | 0 | 112.7 | F90 F94 W123 | F90-P130 HydrophobicContact CB-CB 4.36Å; F90-P130 HydrophobicContact CB-CG 4.49Å; F90-P130 HydrophobicContact CD1-CB 3.95Å; F90-P130 HydrophobicContact CD1-CG 3.69Å; F90-P130 HydrophobicContact CD2-CB 3.63Å; F90-P130 HydrophobicContact CD2-CG 4.3Å; F90-P130 HydrophobicContact CE1-CB 4.09Å; F90-P130 HydrophobicContact CE1-CG 3.87Å; F90-P130 HydrophobicContact CE2-CB 3.78Å; F90-P130 HydrophobicContact CE2-CG 4.47Å; F90-P130 HydrophobicContact CG-CB 3.72Å; F90-P130 HydrophobicContact CG-CG 3.92Å; F90-P130 HydrophobicContact CZ-CB 4.01Å; F90-P130 HydrophobicContact CZ-CG 4.27Å; F94-P130 HydrophobicContact CD1-CG 4.27Å; F94-P130 HydrophobicContact CD2-CG 4.37Å; F94-P130 HydrophobicContact CE1-CG 4.17Å; F94-P130 HydrophobicContact CE2-CG 4.28Å; F94-P130 HydrophobicContact CG-CG 4.37Å; F94-P130 HydrophobicContact CZ-CG 4.17Å; W123-P130 HydrophobicContact CB-CB 4.42Å; W123-P130 HydrophobicContact CB-CG 3.59Å; W123-P130 HydrophobicContact CD2-CB 3.81Å; W123-P130 HydrophobicContact CD2-CG 3.95Å; W123-P130 HydrophobicContact CG-CB 3.7Å; W123-P130 HydrophobicContact CG-CG 3.4Å |
| 131 | G | 90.3 | Very high | 91.5 | Very high | 46 Ų | 46 | 53.6 Ų | 53.6 | 47% | 0.474 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 166.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V129 Q133 | V129-G131 PolarHBondContact O-N 2.97Å; G131-Q133 PolarHBondContact O-N 2.78Å; G131-Q133 PolarHBondContact O-NE2 3.39Å |
| 132 | K | 90.5 | Very high | 91.7 | Very high | 141 Ų | 141 | 52.9 Ų | 52.9 | 61% | 0.613 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 136.8 | 175.7 | -65.1 | 179.4 | -176.7 | 174.1 | 0 | 110.7 | L88 T89 | L88-K132 WeakPolarHBondContact O-CA 3.28Å; T89-K132 HydrophobicContact CG2-CG 4.43Å |
| 133 | Q | 93.2 | Very high | 91.8 | Very high | 34 Ų | 34 | 50.6 Ų | 50.6 | 16% | 0.159 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 138 | 176.1 | -52.9 | -56.4 | -48.2 | 0 | 0 | 109.2 | Q87 L88 F90 W123 G131 | Q87-Q133 CarbonylContact C-O 3.52Å; Q87-Q133 WeakPolarHBondContact CA-O 3.27Å; L88-Q133 HydrophobicContact CB-CB 4.21Å; L88-Q133 HydrophobicContact CD1-CB 4.49Å; L88-Q133 PolarHBondContact N-O 2.94Å; L88-Q133 PolarHBondContact O-N 3.44Å; F90-Q133 HydrophobicContact CE2-CG 4.23Å; W123-Q133 HydrophobicContact CH2-CG 3.69Å; W123-Q133 HydrophobicContact CZ2-CG 4.13Å; G131-Q133 PolarHBondContact O-N 2.78Å; G131-Q133 PolarHBondContact O-NE2 3.39Å |
| 134 | I | 92.4 | Very high | 91.9 | Very high | 78 Ų | 78 | 48.3 Ų | 48.3 | 40% | 0.4 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 131.1 | 179.2 | -58.6 | 175.3 | 0 | 0 | 0 | 107.7 | W85 Q87 V163 | W85-I134 HydrophobicContact CB-CG2 3.92Å; W85-I134 HydrophobicContact CD2-CG2 4.19Å; W85-I134 HydrophobicContact CE3-CG2 3.65Å; W85-I134 HydrophobicContact CG-CG2 4.37Å; W85-I134 HydrophobicContact CZ3-CG2 4.48Å; Q87-I134 HydrophobicContact CB-CG1 4.26Å; Q87-I134 HydrophobicContact CG-CG1 4.03Å; I134-V163 HydrophobicContact CG2-CG2 4.37Å |
| 135 | S | 92.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | trans | -72.6 | 154.1 | 176.3 | 63.1 | 0 | 0 | 0 | 0 | 112.7 | W85 I86 E113 G137 Q139 | W85-S135 VanDerWaalsContact CG-O 3.25Å; I86-S135 PolarHBondContact N-OG 2.79Å; I86-S135 PolarHBondContact O-N 2.78Å; I86-S135 PolarHBondContact O-OG 3.29Å; E113-S135 VanDerWaalsContact OE1-CA 3.27Å; E113-S135 WeakPolarHBondContact OE1-CA 3.35Å; S135-G137 VanDerWaalsContact C-N 3.31Å; S135-G137 WeakPolarHBondContact CB-O 3.35Å; S135-G137 PolarHBondContact OG-O 2.07Å; S135-Q139 WeakPolarHBondContact CB-O 3.43Å | ||
| 136 | K | 88.8 | Confident | 92.1 | Very high | 105 Ų | 105 | 48.7 Ų | 48.7 | 46% | 0.457 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -76 | -19.5 | 173.9 | -66 | 176 | -169.8 | 170.5 | 0 | 113.3 | W85 E113 D116 | W85-K136 PolarHBondContact NE1-O 3.24Å; W85-K136 VanDerWaalsContact NE1-O 3.08Å; E113-K136 HydrophobicContact CG-CD 4.11Å; E113-K136 HydrophobicContact CG-CG 4.36Å; E113-K136 WeakPolarHBondContact OE1-CG 3.38Å; E113-K136 PolarHBondContact OE1-N 3.09Å; D116-K136 IonicContact OD2-NZ 3.35Å; D116-K136 PolarHBondContact OD2-NZ 2.97Å; D116-K136 VanDerWaalsContact OD2-NZ 3.07Å |
| 137 | G | 88.9 | Confident | 92.4 | Very high | 27 Ų | 27 | 46.9 Ų | 46.9 | 28% | 0.278 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -145.6 | -159.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V84 S135 Q139 | V84-G137 CarbonylContact O-C 3.56Å; V84-G137 VanDerWaalsContact O-C 3.26Å; S135-G137 VanDerWaalsContact C-N 3.31Å; S135-G137 WeakPolarHBondContact CB-O 3.35Å; S135-G137 PolarHBondContact OG-O 2.07Å; G137-Q139 PolarHBondContact O-N 2.89Å; G137-Q139 VanDerWaalsContact O-N 3.16Å |
| 138 | N | 92.9 | Very high | 93.2 | Very high | 36 Ų | 36 | 49 Ų | 49 | 19% | 0.193 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -79.3 | 11.6 | -177.9 | 73.9 | -39 | 0 | 0 | 0 | 114 | V78 A79 E81 V84 I86 | V78-N138 CarbonylContact C-O 3.55Å; V78-N138 WeakPolarHBondContact CA-O 3.5Å; A79-N138 HydrophobicContact CB-CB 4.16Å; A79-N138 PolarHBondContact N-O 3.44Å; A79-N138 PolarHBondContact O-ND2 3.22Å; E81-N138 VanDerWaalsContact O-CB 3.28Å; E81-N138 WeakPolarHBondContact O-CB 3.32Å; V84-N138 VanDerWaalsContact O-CA 3.26Å; V84-N138 WeakPolarHBondContact O-CA 3.48Å; V84-N138 PolarHBondContact O-N 2.79Å; I86-N138 WeakPolarHBondContact CD1-O 3.3Å |
| 139 | Q | 94.5 | Very high | 93.5 | Very high | 66 Ų | 66 | 49.8 Ų | 49.8 | 31% | 0.308 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 146.5 | -179.3 | -55.9 | -173.6 | 30.5 | 0 | 0 | 111.9 | L77 V78 P114 S135 G137 | L77-Q139 VanDerWaalsContact O-CA 3.24Å; L77-Q139 WeakPolarHBondContact O-CA 3.44Å; V78-Q139 HydrophobicContact CB-CG 4.37Å; V78-Q139 HydrophobicContact CG1-CG 4.07Å; V78-Q139 HydrophobicContact CG2-CG 4.05Å; P114-Q139 HydrophobicContact CG-CB 4.04Å; S135-Q139 WeakPolarHBondContact CB-O 3.43Å; G137-Q139 PolarHBondContact O-N 2.89Å; G137-Q139 VanDerWaalsContact O-N 3.16Å |
| 140 | I | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 143.8 | 170.9 | -166.9 | 157.7 | 0 | 0 | 0 | 109.6 | L77 I86 L88 V111 L120 | L77-I140 HydrophobicContact CB-CG2 3.77Å; L77-I140 HydrophobicContact CD1-CG2 4.01Å; L77-I140 HydrophobicContact CG-CG2 4.19Å; L77-I140 PolarHBondContact N-O 3.4Å; L77-I140 PolarHBondContact O-N 2.89Å; I86-I140 HydrophobicContact CB-CG2 3.95Å; I86-I140 HydrophobicContact CD1-CG2 4.09Å; I86-I140 HydrophobicContact CG2-CG2 3.74Å; L88-I140 HydrophobicContact CD1-CD1 3.63Å; L88-I140 HydrophobicContact CD1-CG1 4.2Å; L88-I140 HydrophobicContact CD1-CG2 4.49Å; L88-I140 HydrophobicContact CD2-CG2 4.33Å; L88-I140 HydrophobicContact CG-CD1 4.03Å; V111-I140 HydrophobicContact CG1-CD1 3.52Å; V111-I140 HydrophobicContact CG1-CG1 3.67Å; L120-I140 HydrophobicContact CD1-CD1 3.93Å |
| 141 | R | 97.4 | Very high | 93.4 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.7 | 179.7 | 177 | 169.2 | -174.9 | -128.6 | -6.1 | 110.4 | E47 V74 W75 V111 E112 P114 | E47-R141 WeakPolarHBondContact OE1-CD 3.5Å; E47-R141 IonicContact OE1-CZ 2.96Å; E47-R141 IonicContact OE1-NE 2.94Å; E47-R141 PolarHBondContact OE1-NE 2.8Å; V74-R141 HydrophobicContact CG1-CG 4.01Å; W75-R141 CarbonylContact O-C 3.21Å; W75-R141 WeakPolarHBondContact O-CA 3.42Å; V111-R141 CarbonylContact C-O 3.59Å; V111-R141 WeakPolarHBondContact CA-O 3.41Å; E112-R141 HydrophobicContact CG-CB 3.69Å; E112-R141 HydrophobicContact CG-CG 3.89Å; E112-R141 PolarHBondContact N-O 2.82Å; E112-R141 PolarHBondContact O-N 2.83Å; E112-R141 WeakPolarHBondContact OE1-CD 3.25Å; E112-R141 VanDerWaalsContact OE1-CG 3.3Å; E112-R141 WeakPolarHBondContact OE1-CG 3.46Å; E112-R141 IonicContact OE1-CZ 3.89Å; E112-R141 IonicContact OE1-NE 3.07Å; E112-R141 PolarHBondContact OE1-NE 3.06Å; E112-R141 IonicContact OE1-NH1 2.96Å; E112-R141 PolarHBondContact OE1-NH1 3.23Å; P114-R141 HydrophobicContact CG-CB 3.78Å |
| 142 | I | 98.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 127.1 | -177.3 | -55.6 | 165.4 | 0 | 0 | 0 | 106.8 | I58 V74 W75 L77 L88 V109 E110 V111 I158 | I58-I142 HydrophobicContact CD1-CD1 3.76Å; V74-I142 CarbonylContact C-O 3.58Å; V74-I142 WeakPolarHBondContact CA-O 3.45Å; W75-I142 HydrophobicContact CE3-CB 4.32Å; W75-I142 HydrophobicContact CE3-CG2 4.13Å; W75-I142 PolarHBondContact N-O 3.01Å; W75-I142 PolarHBondContact O-N 3.48Å; L77-I142 HydrophobicContact CD1-CD1 4.16Å; L77-I142 HydrophobicContact CG-CD1 4.46Å; L88-I142 HydrophobicContact CD1-CD1 3.76Å; L88-I142 HydrophobicContact CD1-CG1 3.88Å; L88-I142 HydrophobicContact CD2-CD1 4.03Å; V109-I142 HydrophobicContact CG1-CG2 3.89Å; E110-I142 CarbonylContact O-C 3.59Å; E110-I142 WeakPolarHBondContact O-CA 3.46Å; V111-I142 HydrophobicContact CG2-CG1 4.31Å; I142-I158 HydrophobicContact CG2-CD1 4.09Å |
| 143 | R | 97.7 | Very high | 93.4 | Very high | 56 Ų | 56 | 54.4 Ų | 54.4 | 21% | 0.211 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 118.9 | -178.9 | -177 | 170.5 | 76.1 | 91.7 | 0.8 | 109.9 | L73 V74 F108 V109 E110 V145 | L73-R143 CarbonylContact O-C 3.6Å; L73-R143 WeakPolarHBondContact O-CA 3.47Å; V74-R143 HydrophobicContact CG2-CG 4.08Å; F108-R143 VanDerWaalsContact CE2-NH2 3.3Å; V109-R143 CarbonylContact C-O 3.51Å; V109-R143 WeakPolarHBondContact CA-O 3.34Å; E110-R143 HydrophobicContact CB-CB 4.45Å; E110-R143 PolarHBondContact N-O 2.71Å; E110-R143 PolarHBondContact O-N 2.81Å; E110-R143 IonicContact OE1-CZ 3.07Å; E110-R143 VanDerWaalsContact OE1-CZ 3.25Å; E110-R143 IonicContact OE1-NE 3.21Å; E110-R143 PolarHBondContact OE1-NE 2.78Å; E110-R143 IonicContact OE1-NH2 2.64Å; E110-R143 PolarHBondContact OE1-NH2 2.86Å; E110-R143 IonicContact OE2-NH2 3.67Å; R143-V145 HydrophobicContact CG-CG2 4.26Å |
| 144 | F | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 132.8 | 170.3 | 172.9 | -119.8 | 0 | 0 | 0 | 109.6 | Y67 T71 V72 L73 W75 L96 F108 V109 F156 | Y67-F144 HydrophobicContact CD2-CE1 4.36Å; Y67-F144 AromaticContact CD2-CZ 3.59Å; Y67-F144 HydrophobicContact CD2-CZ 3.59Å; Y67-F144 HydrophobicContact CE2-CZ 4.07Å; Y67-F144 AromaticContact CG-CZ 3.85Å; Y67-F144 HydrophobicContact CG-CZ 3.85Å; T71-F144 HydrophobicContact CG2-CD1 4.28Å; T71-F144 HydrophobicContact CG2-CE1 4.2Å; V72-F144 CarbonylContact C-O 3.57Å; V72-F144 VanDerWaalsContact CA-O 3.31Å; V72-F144 WeakPolarHBondContact CA-O 3.37Å; L73-F144 HydrophobicContact CB-CB 4.43Å; L73-F144 HydrophobicContact CD1-CD1 4.23Å; L73-F144 PolarHBondContact N-O 3.39Å; L73-F144 PolarHBondContact O-N 2.86Å; W75-F144 HydrophobicContact CH2-CB 4.27Å; W75-F144 HydrophobicContact CZ3-CB 3.86Å; L96-F144 HydrophobicContact CD1-CE2 4.27Å; L96-F144 HydrophobicContact CD2-CE2 3.88Å; F108-F144 WeakPolarHBondContact O-CA 3.32Å; F108-F144 VanDerWaalsContact O-CD2 3.31Å; F108-F144 WeakPolarHBondContact O-CD2 3.36Å; V109-F144 HydrophobicContact CG2-CB 4.29Å; V109-F144 HydrophobicContact CG2-CD2 3.79Å; V109-F144 HydrophobicContact CG2-CG 4.45Å; F144-F156 HydrophobicContact CB-CE1 3.86Å; F144-F156 HydrophobicContact CB-CZ 3.9Å; F144-F156 HydrophobicContact CD1-CE1 4.06Å; F144-F156 HydrophobicContact CD2-CD1 4.19Å; F144-F156 AromaticContact CD2-CE1 3.5Å; F144-F156 HydrophobicContact CD2-CE1 3.5Å; F144-F156 VanDerWaalsContact CD2-CE1 3.5Å; F144-F156 HydrophobicContact CD2-CZ 4.38Å; F144-F156 HydrophobicContact CE2-CD1 4.43Å; F144-F156 HydrophobicContact CE2-CE1 4.02Å; F144-F156 AromaticContact CG-CE1 3.52Å; F144-F156 HydrophobicContact CG-CE1 3.52Å; F144-F156 HydrophobicContact CG-CZ 4.05Å; F144-F156 HydrophobicContact CZ-CE1 4.49Å |
| 145 | V | 97.1 | Very high | 93.5 | Very high | 24 Ų | 24 | 50.6 Ų | 50.6 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.4 | 172.1 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | T71 V72 D107 F108 R143 | T71-V145 CarbonylContact O-C 3.59Å; T71-V145 VanDerWaalsContact O-CA 3.32Å; T71-V145 WeakPolarHBondContact O-CA 3.04Å; V72-V145 HydrophobicContact CG1-CG2 4.12Å; V72-V145 HydrophobicContact CG2-CG1 4.33Å; V72-V145 HydrophobicContact CG2-CG2 4.23Å; D107-V145 WeakPolarHBondContact CA-O 3.35Å; F108-V145 HydrophobicContact CD1-CB 4.34Å; F108-V145 HydrophobicContact CD2-CB 4.47Å; F108-V145 HydrophobicContact CE1-CB 3.82Å; F108-V145 HydrophobicContact CE1-CG1 4.11Å; F108-V145 HydrophobicContact CE1-CG2 4.28Å; F108-V145 HydrophobicContact CE2-CB 3.95Å; F108-V145 HydrophobicContact CE2-CG2 3.77Å; F108-V145 HydrophobicContact CZ-CB 3.6Å; F108-V145 HydrophobicContact CZ-CG1 4.18Å; F108-V145 HydrophobicContact CZ-CG2 3.56Å; F108-V145 PolarHBondContact N-O 2.96Å; F108-V145 PolarHBondContact O-N 2.78Å; R143-V145 HydrophobicContact CG-CG2 4.26Å |
| 146 | S | 96.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | trans | -125.9 | 149 | 163.6 | 64.2 | 0 | 0 | 0 | 0 | 112.4 | P68 N70 T71 D107 | P68-S146 PolarHBondContact O-OG 3.41Å; N70-S146 VanDerWaalsContact CA-O 3.25Å; N70-S146 WeakPolarHBondContact CA-O 2.95Å; N70-S146 PolarHBondContact N-O 3.03Å; N70-S146 PolarHBondContact N-OG 3.4Å; T71-S146 WeakPolarHBondContact CB-OG 3.33Å; T71-S146 PolarHBondContact N-O 2.83Å; T71-S146 PolarHBondContact N-OG 2.91Å; T71-S146 PolarHBondContact O-N 3.48Å; D107-S146 WeakPolarHBondContact OD1-CA 3.46Å; D107-S146 WeakPolarHBondContact OD1-CB 3.42Å | ||
| 147 | D | 94.8 | Very high | 94.1 | Very high | 39 Ų | 39 | 46 Ų | 46 | 21% | 0.209 | 22% | 0.224 | C | C | . | . | trans | -92.8 | -171.7 | 179.4 | 91.3 | -7.5 | 0 | 0 | 0 | 112.6 | R69 N70 Y106 D107 Y149 | R69-D147 CarbonylContact C-O 3.58Å; R69-D147 WeakPolarHBondContact CA-O 3.28Å; R69-D147 WeakPolarHBondContact CB-O 3.27Å; N70-D147 PolarHBondContact N-O 2.85Å; Y106-D147 WeakPolarHBondContact CD1-OD2 3.43Å; D107-D147 PolarHBondContact OD1-N 2.81Å; D147-Y149 VanDerWaalsContact C-N 3.28Å; D147-Y149 PolarHBondContact O-N 2.94Å; D147-Y149 WeakPolarHBondContact OD1-CA 3.31Å; D147-Y149 PolarHBondContact OD1-N 2.95Å | ||
| 148 | E | 93.2 | Very high | 94.6 | Very high | 115 Ų | 115 | 44.7 Ų | 44.7 | 54% | 0.537 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -80.3 | -3 | -177.4 | -66.5 | -166.5 | 160.5 | 0 | 0 | 114.7 | R69 N70 | R69-E148 WeakPolarHBondContact CD-O 2.92Å; R69-E148 PolarHBondContact NE-O 2.96Å; N70-E148 HydrophobicContact CB-CG 4.18Å; N70-E148 PolarHBondContact ND2-OE1 2.78Å |
| 149 | Y | 89.9 | Confident | 94.7 | Very high | 138 Ų | 138 | 46.9 Ų | 46.9 | 54% | 0.541 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -129.3 | 166.2 | -169.6 | -58 | -72.6 | 0 | 0 | 0 | 112.1 | D147 P151 | D147-Y149 VanDerWaalsContact C-N 3.28Å; D147-Y149 PolarHBondContact O-N 2.94Å; D147-Y149 WeakPolarHBondContact OD1-CA 3.31Å; D147-Y149 PolarHBondContact OD1-N 2.95Å; Y149-P151 VanDerWaalsContact C-CD 3.5Å; Y149-P151 VanDerWaalsContact O-CD 3.23Å; Y149-P151 WeakPolarHBondContact O-CD 3.32Å |
| 150 | F | 87.6 | Confident | 94.8 | Very high | 157 Ų | 157 | 45.1 Ų | 45.1 | 69% | 0.689 | 21% | 0.211 | S | C | * | . | trans | 32.3 | 53.2 | 168.9 | -48.6 | -66.4 | 0 | 0 | 0 | 120.6 | E97 S152 | E97-F150 HydrophobicContact CG-CB 4.47Å; F150-S152 PolarHBondContact O-N 2.71Å | ||
| 151 | P | 90.4 | Very high | 94.7 | Very high | 32 Ų | 32 | 47.3 Ų | 47.3 | 21% | 0.208 | 22% | 0.222 | C | C | . | . | trans | -67.5 | 134.3 | 176.7 | 31.7 | -37.1 | 0 | 0 | 0 | 110.1 | T66 Y67 R69 Y149 | T66-P151 HydrophobicContact CG2-CB 3.69Å; T66-P151 HydrophobicContact CG2-CG 3.76Å; Y67-P151 HydrophobicContact CD2-CB 3.99Å; Y67-P151 HydrophobicContact CE2-CB 3.63Å; R69-P151 HydrophobicContact CG-CB 4.02Å; R69-P151 HydrophobicContact CG-CG 3.62Å; Y149-P151 VanDerWaalsContact C-CD 3.5Å; Y149-P151 VanDerWaalsContact O-CD 3.23Å; Y149-P151 WeakPolarHBondContact O-CD 3.32Å | ||
| 152 | S | 90.4 | Very high | 94.5 | Very high | 33 Ų | 33 | 46.3 Ų | 46.3 | 23% | 0.231 | 22% | 0.221 | C | C | . | . | trans | -93 | 170.2 | -178.9 | -164.8 | 0 | 0 | 0 | 0 | 112.8 | T66 Y67 L96 F150 | T66-S152 WeakPolarHBondContact CA-O 3.42Å; Y67-S152 VanDerWaalsContact CD1-O 3.25Å; Y67-S152 WeakPolarHBondContact CD1-O 3.17Å; Y67-S152 WeakPolarHBondContact CE1-O 3.45Å; Y67-S152 PolarHBondContact OH-N 3.01Å; L96-S152 WeakPolarHBondContact O-CB 3.23Å; L96-S152 PolarHBondContact O-OG 2.93Å; F150-S152 PolarHBondContact O-N 2.71Å | ||
| 153 | E | 90.4 | Very high | 94.1 | Very high | 129 Ų | 129 | 47.9 Ų | 47.9 | 60% | 0.603 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -121.7 | 144.7 | 166.4 | 62.8 | -179.1 | -162.6 | 0 | 0 | 108.2 | ||
| 154 | P | 92.6 | Very high | 93.3 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 21% | 0.214 | 25% | 0.253 | C | S | . | . | S | Bend | cis | -92.8 | -1.6 | 18.4 | -8.4 | 29.8 | 0 | 0 | 0 | 115.2 | F63 P64 R93 | F63-P154 WeakPolarHBondContact CD2-O 3.22Å; F63-P154 HydrophobicContact CE2-CB 4.18Å; P64-P154 CarbonylContact C-O 3.58Å; P64-P154 WeakPolarHBondContact CA-O 3.36Å; P64-P154 HydrophobicContact CB-CB 4.05Å; P64-P154 WeakPolarHBondContact O-CA 3.11Å; P64-P154 WeakPolarHBondContact O-CB 3.34Å; R93-P154 HydrophobicContact CB-CB 4.2Å; R93-P154 HydrophobicContact CB-CG 3.95Å; R93-P154 WeakPolarHBondContact O-CB 3.36Å; R93-P154 WeakPolarHBondContact O-CD 3.12Å; R93-P154 WeakPolarHBondContact O-CG 3.24Å |
| 155 | G | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | 82.8 | -142.6 | -165.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S60 G95 | S60-G155 WeakPolarHBondContact OG-CA 3.47Å; G95-G155 PolarHBondContact N-O 3.3Å; G95-G155 CarbonylContact O-C 3.59Å; G95-G155 WeakPolarHBondContact O-CA 3.48Å; G95-G155 PolarHBondContact O-N 3.33Å |
| 156 | F | 97 | Very high | 89.8 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -139.7 | 153.1 | 177.2 | 71 | -89.4 | 0 | 0 | 0 | 112.5 | I58 H59 S60 F63 W75 F94 L96 V109 F144 I158 | I58-F156 HydrophobicContact CG2-CE2 4.27Å; H59-F156 CarbonylContact C-O 3.54Å; H59-F156 WeakPolarHBondContact CA-O 3.23Å; H59-F156 VanDerWaalsContact CB-O 3.27Å; H59-F156 WeakPolarHBondContact CB-O 3.5Å; S60-F156 PolarHBondContact N-O 2.83Å; S60-F156 PolarHBondContact OG-N 3.42Å; S60-F156 PolarHBondContact OG-O 3.21Å; F63-F156 VanDerWaalsContact CD2-O 3.28Å; F63-F156 WeakPolarHBondContact CD2-O 3.33Å; W75-F156 AromaticContact CH2-CZ 3.91Å; W75-F156 HydrophobicContact CH2-CZ 3.91Å; W75-F156 AromaticContact CZ3-CZ 3.94Å; W75-F156 HydrophobicContact CZ3-CZ 3.94Å; F94-F156 HydrophobicContact CD2-CB 3.59Å; F94-F156 HydrophobicContact CE2-CB 3.81Å; L96-F156 HydrophobicContact CD2-CD1 4.36Å; V109-F156 HydrophobicContact CG2-CD1 3.45Å; V109-F156 VanDerWaalsContact CG2-CD1 3.45Å; V109-F156 HydrophobicContact CG2-CD2 4.18Å; V109-F156 HydrophobicContact CG2-CE1 3.46Å; V109-F156 VanDerWaalsContact CG2-CE1 3.46Å; V109-F156 HydrophobicContact CG2-CE2 4.18Å; V109-F156 HydrophobicContact CG2-CG 3.83Å; V109-F156 HydrophobicContact CG2-CZ 3.84Å; F144-F156 HydrophobicContact CB-CE1 3.86Å; F144-F156 HydrophobicContact CB-CZ 3.9Å; F144-F156 HydrophobicContact CD1-CE1 4.06Å; F144-F156 HydrophobicContact CD2-CD1 4.19Å; F144-F156 AromaticContact CD2-CE1 3.5Å; F144-F156 HydrophobicContact CD2-CE1 3.5Å; F144-F156 VanDerWaalsContact CD2-CE1 3.5Å; F144-F156 HydrophobicContact CD2-CZ 4.38Å; F144-F156 HydrophobicContact CE2-CD1 4.43Å; F144-F156 HydrophobicContact CE2-CE1 4.02Å; F144-F156 AromaticContact CG-CE1 3.52Å; F144-F156 HydrophobicContact CG-CE1 3.52Å; F144-F156 HydrophobicContact CG-CZ 4.05Å; F144-F156 HydrophobicContact CZ-CE1 4.49Å; F156-I158 HydrophobicContact CD2-CD1 3.74Å; F156-I158 HydrophobicContact CD2-CG1 3.89Å; F156-I158 HydrophobicContact CE2-CD1 3.88Å; F156-I158 HydrophobicContact CE2-CG1 4.41Å | ||
| 157 | C | 97.4 | Very high | 87.2 | Confident | 10 Ų | 10 | 68.7 Ų | 68.7 | 7% | 0.068 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 130.3 | 161.7 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | I58 H59 F63 D91 | I58-C157 CarbonylContact O-C 3.55Å; I58-C157 WeakPolarHBondContact O-CA 3.45Å; H59-C157 HydrophobicContact CB-CB 4.05Å; F63-C157 HydrophobicContact CD1-CB 3.83Å; F63-C157 HydrophobicContact CD2-CB 4.32Å; F63-C157 HydrophobicContact CE1-CB 3.5Å; F63-C157 VanDerWaalsContact CE1-CB 3.5Å; F63-C157 HydrophobicContact CE2-CB 4.04Å; F63-C157 HydrophobicContact CG-CB 4.23Å; F63-C157 HydrophobicContact CZ-CB 3.61Å; D91-C157 HydrophobicContact CB-CB 3.74Å; D91-C157 VanDerWaalsContact CB-O 3.3Å; D91-C157 WeakPolarHBondContact CB-O 3.36Å; D91-C157 PolarHBondContact N-O 3.02Å |
| 158 | I | 98 | Very high | 84.4 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 116.1 | 179.6 | -64.8 | 162.7 | 0 | 0 | 0 | 106.8 | S57 I58 L88 T89 F90 V109 I142 F156 | S57-I158 CarbonylContact C-O 3.57Å; S57-I158 WeakPolarHBondContact CA-O 3.47Å; S57-I158 WeakPolarHBondContact CB-O 3.2Å; I58-I158 PolarHBondContact N-O 2.75Å; I58-I158 PolarHBondContact O-N 3.34Å; L88-I158 HydrophobicContact CB-CG2 3.81Å; L88-I158 HydrophobicContact CD1-CG2 4.45Å; L88-I158 HydrophobicContact CD2-CG2 4.07Å; L88-I158 HydrophobicContact CG-CG2 4.33Å; T89-I158 WeakPolarHBondContact O-CA 3.22Å; F90-I158 HydrophobicContact CD1-CD1 4.11Å; F90-I158 HydrophobicContact CD1-CG1 3.65Å; F90-I158 HydrophobicContact CD2-CG1 4.46Å; F90-I158 HydrophobicContact CE1-CD1 3.55Å; F90-I158 HydrophobicContact CE1-CG1 3.64Å; F90-I158 HydrophobicContact CE2-CG1 4.45Å; F90-I158 HydrophobicContact CG-CG1 4.09Å; F90-I158 HydrophobicContact CZ-CD1 3.81Å; F90-I158 HydrophobicContact CZ-CG1 4.06Å; V109-I158 HydrophobicContact CG1-CD1 3.96Å; I142-I158 HydrophobicContact CG2-CD1 4.09Å; F156-I158 HydrophobicContact CD2-CD1 3.74Å; F156-I158 HydrophobicContact CD2-CG1 3.89Å; F156-I158 HydrophobicContact CE2-CD1 3.88Å; F156-I158 HydrophobicContact CE2-CG1 4.41Å |
| 159 | H | 96.7 | Very high | 81.8 | Confident | 81 Ų | 81 | 75.2 Ų | 75.2 | 38% | 0.375 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 134.2 | 171 | -59.1 | 90 | 0 | 0 | 0 | 108.6 | G56 L88 T89 D91 | G56-H159 CarbonylContact O-C 3.56Å; G56-H159 WeakPolarHBondContact O-CA 3.5Å; L88-H159 CarbonylContact C-O 3.55Å; L88-H159 WeakPolarHBondContact CA-O 3.3Å; T89-H159 PolarHBondContact N-O 3.43Å; T89-H159 PolarHBondContact O-N 2.96Å; D91-H159 IonicContact OD2-CE1 2.67Å |
| 160 | Y | 96.5 | Very high | 79.1 | Confident | 30 Ų | 30 | 72.8 Ų | 72.8 | 12% | 0.118 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 145.6 | 174.1 | 61.2 | -98 | 0 | 0 | 0 | 110.6 | V52 N55 G56 S57 I58 L77 Q87 | V52-Y160 HydrophobicContact CG1-CD2 3.82Å; V52-Y160 HydrophobicContact CG1-CE2 3.9Å; V52-Y160 HydrophobicContact CG2-CD2 4.12Å; V52-Y160 HydrophobicContact CG2-CE2 4Å; N55-Y160 CarbonylContact C-O 3.59Å; N55-Y160 WeakPolarHBondContact CA-O 3.23Å; G56-Y160 VanDerWaalsContact C-CE1 3.42Å; G56-Y160 PolarHBondContact N-O 3.38Å; G56-Y160 PolarHBondContact O-N 3.28Å; S57-Y160 VanDerWaalsContact N-CE1 3.32Å; I58-Y160 HydrophobicContact CD1-CD1 4.37Å; I58-Y160 HydrophobicContact CD1-CE1 4.37Å; I58-Y160 HydrophobicContact CG1-CD1 4.33Å; I58-Y160 HydrophobicContact CG1-CE1 4.06Å; L77-Y160 HydrophobicContact CD1-CD1 3.79Å; L77-Y160 HydrophobicContact CD1-CD2 4.22Å; L77-Y160 HydrophobicContact CD1-CE1 4.48Å; L77-Y160 HydrophobicContact CD1-CG 3.63Å; L77-Y160 HydrophobicContact CD2-CD1 4.4Å; L77-Y160 HydrophobicContact CD2-CE1 4.3Å; Q87-Y160 VanDerWaalsContact O-CA 3.24Å; Q87-Y160 WeakPolarHBondContact O-CA 3.15Å |
| 161 | N | 94.1 | Very high | 76.7 | Confident | 46 Ų | 46 | 71.8 Ų | 71.8 | 25% | 0.246 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 154.4 | 171.9 | 68.6 | -76.9 | 0 | 0 | 0 | 110.4 | N55 Q87 V163 | N55-N161 HydrophobicContact CB-CB 4.14Å; Q87-N161 PolarHBondContact N-O 2.85Å; Q87-N161 PolarHBondContact NE2-OD1 3.02Å; Q87-N161 PolarHBondContact O-N 2.95Å; N161-V163 WeakPolarHBondContact ND2-CG1 3.34Å |
| 162 | I | 92.9 | Very high | 74 | Confident | 46 Ų | 46 | 74.6 Ų | 74.6 | 24% | 0.236 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 133.6 | 170.5 | -57.3 | 179.6 | 0 | 0 | 0 | 107.7 | V52 A79 V84 W85 | V52-I162 HydrophobicContact CG1-CD1 4.05Å; V52-I162 HydrophobicContact CG1-CG1 3.62Å; A79-I162 HydrophobicContact CB-CD1 4.45Å; V84-I162 HydrophobicContact CB-CG2 3.45Å; V84-I162 VanDerWaalsContact CB-CG2 3.45Å; V84-I162 HydrophobicContact CG1-CG2 3.79Å; V84-I162 HydrophobicContact CG2-CG2 3.57Å; W85-I162 WeakPolarHBondContact O-CA 3.43Å |
| 163 | V | 89.6 | Confident | 71.6 | Confident | 33 Ų | 33 | 78.2 Ų | 78.2 | 20% | 0.2 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 135.3 | 165.8 | -60.6 | 0 | 0 | 0 | 0 | 107.2 | W85 Q87 I134 N161 | W85-V163 HydrophobicContact CB-CG2 3.77Å; W85-V163 PolarHBondContact N-O 2.94Å; W85-V163 PolarHBondContact O-N 2.72Å; W85-V163 VanDerWaalsContact O-O 3.06Å; Q87-V163 HydrophobicContact CB-CG1 3.84Å; Q87-V163 HydrophobicContact CB-CG2 4.23Å; I134-V163 HydrophobicContact CG2-CG2 4.37Å; N161-V163 WeakPolarHBondContact ND2-CG1 3.34Å |
| 164 | M | 81.6 | Confident | 69.3 | Low | 137 Ų | 137 | 77.8 Ų | 77.8 | 68% | 0.675 | 44% | 0.437 | S | S | * | . | trans | -67.1 | 140.6 | 168.4 | -67.9 | 179.2 | -179.8 | 0 | 0 | 107.5 | V84 Q166 | V84-M164 HydrophobicContact CG1-CG 4.49Å; M164-Q166 PolarHBondContact O-N 2.85Å | ||
| 165 | P | 69.1 | Low | 66.9 | Low | 36 Ų | 36 | 81.8 Ų | 81.8 | 23% | 0.234 | 46% | 0.461 | C | S | . | . | trans | -55.2 | 97.5 | 163.9 | 23.5 | -32.1 | 0 | 0 | 0 | 106.4 | N83 W85 F167 | N83-P165 WeakPolarHBondContact O-CD 3.46Å; N83-P165 VanDerWaalsContact O-CG 3.28Å; N83-P165 WeakPolarHBondContact O-CG 3.25Å; W85-P165 HydrophobicContact CD2-CB 3.89Å; W85-P165 HydrophobicContact CE3-CB 4.31Å; W85-P165 HydrophobicContact CG-CB 4.42Å; W85-P165 HydrophobicContact CH2-CB 4.14Å; W85-P165 HydrophobicContact CZ2-CB 3.7Å; W85-P165 HydrophobicContact CZ3-CB 4.43Å; P165-F167 PolarHBondContact O-N 2.83Å | ||
| 166 | Q | 51.8 | Low | 64.1 | Low | 150 Ų | 150 | 89.6 Ų | 89.6 | 70% | 0.701 | 50% | 0.502 | S | S | * | . | trans | -69.4 | 98 | 161.3 | -60.6 | -166.6 | -4.6 | 0 | 0 | 102.6 | M164 T168 | M164-Q166 PolarHBondContact O-N 2.85Å; Q166-T168 HydrophobicContact CB-CG2 4.1Å; Q166-T168 PolarHBondContact O-N 3.02Å | ||
| 167 | F | 42.5 | Very low | 61.3 | Low | 198 Ų | 198 | 94 Ų | 94 | 87% | 0.868 | 53% | 0.53 | S | S | * | . | trans | -54.4 | 94.4 | 142.1 | -84 | -86.8 | 0 | 0 | 0 | 103.9 | P165 E169 | P165-F167 PolarHBondContact O-N 2.83Å; F167-E169 PolarHBondContact O-N 2.79Å | ||
| 168 | T | 36 | Very low | 58.7 | Low | 111 Ų | 111 | 100 Ų | 100 | 68% | 0.681 | 57% | 0.57 | S | S | * | * | trans | -67.9 | 72.8 | 162.6 | 42 | 0 | 0 | 0 | 0 | 106.1 | Q166 A170 | Q166-T168 HydrophobicContact CB-CG2 4.1Å; Q166-T168 PolarHBondContact O-N 3.02Å; T168-A170 PolarHBondContact O-N 3.37Å; T168-A170 VanDerWaalsContact O-N 3.12Å | ||
| 169 | E | 38.3 | Very low | 56.4 | Low | 179 Ų | 179 | 104.4 Ų | 104.4 | 84% | 0.836 | 60% | 0.6 | S | S | * | * | -54.3 | 103.7 | 121.3 | -90 | -172 | 153.2 | 0 | 0 | 103.8 | F167 V171 | F167-E169 PolarHBondContact O-N 2.79Å; E169-V171 PolarHBondContact O-N 2.94Å | |||
| 170 | A | 33.1 | Very low | 54.3 | Low | 88 Ų | 88 | 105.3 Ų | 105.3 | 73% | 0.727 | 62% | 0.622 | S | S | * | * | trans | -47.7 | 107 | 179 | 0 | 0 | 0 | 0 | 0 | 108 | T168 S172 | T168-A170 PolarHBondContact O-N 3.37Å; T168-A170 VanDerWaalsContact O-N 3.12Å; A170-S172 VanDerWaalsContact C-N 3.25Å; A170-S172 PolarHBondContact O-N 3.4Å | ||
| 171 | V | 36.1 | Very low | 52.4 | Low | 135 Ų | 135 | 108.1 Ų | 108.1 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | trans | -64.4 | 102.2 | 165.4 | 173.6 | 0 | 0 | 0 | 0 | 104.4 | E169 P173 | E169-V171 PolarHBondContact O-N 2.94Å; V171-P173 WeakPolarHBondContact O-CD 2.96Å | ||
| 172 | S | 34.6 | Very low | 51.1 | Low | 91 Ų | 91 | 109.4 Ų | 109.4 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | trans | -45.5 | 120.2 | 169.9 | 54.9 | 0 | 0 | 0 | 0 | 109.1 | A170 S174 | A170-S172 VanDerWaalsContact C-N 3.25Å; A170-S172 PolarHBondContact O-N 3.4Å; S172-S174 PolarHBondContact O-N 2.78Å | ||
| 173 | P | 39.5 | Very low | 49.6 | Very low | 110 Ų | 110 | 113.1 Ų | 113.1 | 71% | 0.714 | 67% | 0.669 | S | S | * | * | trans | -58.9 | 123.9 | 149.8 | -8.9 | 24.7 | 0 | 0 | 0 | 105.4 | V171 V175 | V171-P173 WeakPolarHBondContact O-CD 2.96Å; P173-V175 PolarHBondContact O-N 2.96Å | ||
| 174 | S | 43.2 | Very low | 48.2 | Very low | 120 Ų | 120 | 117 Ų | 117 | 84% | 0.839 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -68.5 | 38.7 | 177.5 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | S172 | S172-S174 PolarHBondContact O-N 2.78Š|
| 175 | V | 41 | Very low | 47.2 | Very low | 117 Ų | 117 | 114.8 Ų | 114.8 | 71% | 0.709 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -135.7 | 100.5 | 163.6 | -175.8 | 0 | 0 | 0 | 0 | 105.2 | P173 P177 | P173-V175 PolarHBondContact O-N 2.96Å; V175-P177 VanDerWaalsContact O-CD 3.24Å; V175-P177 WeakPolarHBondContact O-CD 3.01Å |
| 176 | L | 37.1 | Very low | 47 | Very low | 163 Ų | 163 | 115.7 Ų | 115.7 | 85% | 0.853 | 68% | 0.682 | S | S | * | * | trans | -50 | 118.8 | 171.6 | -70.9 | 160.5 | 0 | 0 | 0 | 109.5 | ||||
| 177 | P | 37.8 | Very low | 47.7 | Very low | 93 Ų | 93 | 112.6 Ų | 112.6 | 60% | 0.604 | 67% | 0.67 | S | S | * | * | trans | -72.4 | 138.9 | 150.9 | 21.7 | -11.6 | 0 | 0 | 0 | 107.7 | V175 S179 | V175-P177 VanDerWaalsContact O-CD 3.24Å; V175-P177 WeakPolarHBondContact O-CD 3.01Å; P177-S179 PolarHBondContact O-N 3.5Å | ||
| 178 | P | 43.5 | Very low | 48.8 | Very low | 137 Ų | 137 | 108.2 Ų | 108.2 | 89% | 0.89 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -75 | 73.7 | 179.3 | 31.9 | -33.5 | 0 | 0 | 0 | 109.9 | ||
| 179 | S | 50.2 | Low | 50.2 | Low | 91 Ų | 91 | 103.9 Ų | 103.9 | 64% | 0.636 | 63% | 0.631 | S | S | * | * | trans | -167.8 | 63.1 | 173.6 | 59.5 | 0 | 0 | 0 | 0 | 112.8 | P177 | P177-S179 PolarHBondContact O-N 3.5Š| ||
| 180 | A | 51.1 | Low | 51.9 | Low | 101 Ų | 101 | 98.4 Ų | 98.4 | 84% | 0.835 | 61% | 0.607 | S | S | * | * | trans | -110.7 | 84.3 | 140.5 | 0 | 0 | 0 | 0 | 0 | 105.3 | P182 | A180-P182 WeakPolarHBondContact O-CD 3.06Š| ||
| 181 | L | 57.4 | Low | 53.5 | Low | 88 Ų | 88 | 99.2 Ų | 99.2 | 46% | 0.461 | 60% | 0.603 | S | S | . | * | trans | -57.7 | 129.3 | 167.5 | -70.3 | 172.3 | 0 | 0 | 0 | 106.5 | L183 L185 | L181-L183 PolarHBondContact O-N 3.08Å; L181-L185 HydrophobicContact CB-CB 4.05Å; L181-L185 HydrophobicContact CD2-CB 4.46Å; L181-L185 HydrophobicContact CD2-CD1 3.91Å | ||
| 182 | P | 66.6 | Low | 55.1 | Low | 73 Ų | 73 | 96.6 Ų | 96.6 | 47% | 0.474 | 60% | 0.595 | S | S | . | * | trans | -43.7 | 142.8 | 170.4 | -29.1 | 31.7 | 0 | 0 | 0 | 110.8 | A180 D184 L185 L186 | A180-P182 WeakPolarHBondContact O-CD 3.06Å; P182-D184 PolarHBondContact O-N 3.02Å; P182-L185 HydrophobicContact CB-CG 4.44Å; P182-L185 HydrophobicContact CG-CD1 4.19Å; P182-L185 HydrophobicContact CG-CG 4.42Å; P182-L185 WeakPolarHBondContact O-CA 3.41Å; P182-L185 WeakPolarHBondContact O-CB 3.07Å; P182-L185 PolarHBondContact O-N 3.45Å; P182-L186 PolarHBondContact O-N 3.2Å | ||
| 183 | L | 62.2 | Low | 57.2 | Low | 124 Ų | 124 | 94.7 Ų | 94.7 | 65% | 0.649 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -51 | -30.7 | -178.2 | -172.9 | 63.3 | 0 | 0 | 0 | 112.5 | L181 L186 N187 | L181-L183 PolarHBondContact O-N 3.08Å; L183-L186 PolarHBondContact O-N 2.77Å; L183-N187 WeakPolarHBondContact O-CB 3.08Å; L183-N187 PolarHBondContact O-N 3.49Å |
| 184 | D | 59.1 | Low | 58.7 | Low | 116 Ų | 116 | 92.6 Ų | 92.6 | 62% | 0.62 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.3 | -39 | 174.6 | -56.5 | -44.7 | 0 | 0 | 0 | 113.3 | P182 N188 | P182-D184 PolarHBondContact O-N 3.02Å; D184-N188 WeakPolarHBondContact O-CB 3.46Å; D184-N188 PolarHBondContact O-N 3.35Å; D184-N188 PolarHBondContact O-ND2 3.21Å |
| 185 | L | 61.2 | Low | 60.5 | Low | 89 Ų | 89 | 89 Ų | 89 | 47% | 0.466 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.6 | -35.4 | 173.1 | -68.8 | -174.4 | 0 | 0 | 0 | 111.3 | L181 P182 N188 A189 | L181-L185 HydrophobicContact CB-CB 4.05Å; L181-L185 HydrophobicContact CD2-CB 4.46Å; L181-L185 HydrophobicContact CD2-CD1 3.91Å; P182-L185 HydrophobicContact CB-CG 4.44Å; P182-L185 HydrophobicContact CG-CD1 4.19Å; P182-L185 HydrophobicContact CG-CG 4.42Å; P182-L185 WeakPolarHBondContact O-CA 3.41Å; P182-L185 WeakPolarHBondContact O-CB 3.07Å; P182-L185 PolarHBondContact O-N 3.45Å; L185-N188 PolarHBondContact O-N 2.92Å; L185-A189 WeakPolarHBondContact O-CB 3Å; L185-A189 PolarHBondContact O-N 3.26Å |
| 186 | L | 65.3 | Low | 62.5 | Low | 56 Ų | 56 | 84.7 Ų | 84.7 | 29% | 0.293 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.9 | -43.6 | 174.9 | -172.9 | 62.4 | 0 | 0 | 0 | 111.5 | P182 L183 N188 A189 I190 L203 | P182-L186 PolarHBondContact O-N 3.2Å; L183-L186 PolarHBondContact O-N 2.77Å; L186-N188 VanDerWaalsContact C-N 3.33Å; L186-N188 PolarHBondContact O-N 2.98Å; L186-A189 WeakPolarHBondContact O-CB 3.48Å; L186-A189 PolarHBondContact O-N 3.48Å; L186-A189 VanDerWaalsContact O-N 3.17Å; L186-I190 HydrophobicContact CG-CD1 4.12Å; L186-I190 WeakPolarHBondContact O-CD1 3.28Å; L186-I190 VanDerWaalsContact O-CG1 3.23Å; L186-I190 WeakPolarHBondContact O-CG1 3.04Å; L186-I190 PolarHBondContact O-N 3.32Å; L186-L203 HydrophobicContact CD1-CD2 3.68Å |
| 187 | N | 66.1 | Low | 64.6 | Low | 85 Ų | 85 | 80.8 Ų | 80.8 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 173.7 | -88.7 | -14.6 | 0 | 0 | 0 | 111.6 | L183 A189 I190 T191 | L183-N187 WeakPolarHBondContact O-CB 3.08Å; L183-N187 PolarHBondContact O-N 3.49Å; N187-A189 VanDerWaalsContact C-N 3.34Å; N187-A189 PolarHBondContact O-N 2.87Å; N187-I190 PolarHBondContact O-N 3.17Å; N187-T191 WeakPolarHBondContact O-CG2 2.95Å; N187-T191 PolarHBondContact O-N 2.94Å |
| 188 | N | 64.4 | Low | 66.7 | Low | 106 Ų | 106 | 79.2 Ų | 79.2 | 57% | 0.567 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.1 | -40.9 | 175.3 | -69.4 | -21.1 | 0 | 0 | 0 | 111.6 | D184 L185 L186 I190 T191 | D184-N188 WeakPolarHBondContact O-CB 3.46Å; D184-N188 PolarHBondContact O-N 3.35Å; D184-N188 PolarHBondContact O-ND2 3.21Å; L185-N188 PolarHBondContact O-N 2.92Å; L186-N188 VanDerWaalsContact C-N 3.33Å; L186-N188 PolarHBondContact O-N 2.98Å; N188-I190 PolarHBondContact O-N 2.93Å; N188-T191 PolarHBondContact O-N 2.89Å; N188-T191 PolarHBondContact O-OG1 3.47Å |
| 189 | A | 66.9 | Low | 68.7 | Low | 19 Ų | 19 | 74.2 Ų | 74.2 | 16% | 0.157 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L185 L186 N187 T191 A192 F193 Y202 | L185-A189 WeakPolarHBondContact O-CB 3Å; L185-A189 PolarHBondContact O-N 3.26Å; L186-A189 WeakPolarHBondContact O-CB 3.48Å; L186-A189 PolarHBondContact O-N 3.48Å; L186-A189 VanDerWaalsContact O-N 3.17Å; N187-A189 VanDerWaalsContact C-N 3.34Å; N187-A189 PolarHBondContact O-N 2.87Å; A189-T191 VanDerWaalsContact C-N 3.28Å; A189-T191 PolarHBondContact O-N 3.02Å; A189-A192 VanDerWaalsContact O-CB 3.31Å; A189-A192 WeakPolarHBondContact O-CB 3.46Å; A189-A192 PolarHBondContact O-N 3.44Å; A189-A192 VanDerWaalsContact O-N 3.1Å; A189-F193 WeakPolarHBondContact O-CD2 3.45Å; A189-F193 WeakPolarHBondContact O-CE2 3.18Å; A189-Y202 HydrophobicContact CB-CE1 4.16Å |
| 190 | I | 72.9 | Confident | 70.2 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 33% | 0.333 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.9 | -37 | 177.7 | -67.9 | 160 | 0 | 0 | 0 | 111.3 | L186 N187 N188 A192 F193 L199 | L186-I190 HydrophobicContact CG-CD1 4.12Å; L186-I190 WeakPolarHBondContact O-CD1 3.28Å; L186-I190 VanDerWaalsContact O-CG1 3.23Å; L186-I190 WeakPolarHBondContact O-CG1 3.04Å; L186-I190 PolarHBondContact O-N 3.32Å; N187-I190 PolarHBondContact O-N 3.17Å; N188-I190 PolarHBondContact O-N 2.93Å; I190-A192 PolarHBondContact O-N 2.93Å; I190-F193 PolarHBondContact O-N 2.9Å; I190-L199 HydrophobicContact CB-CD1 4.36Å; I190-L199 HydrophobicContact CG1-CD1 3.86Å; I190-L199 HydrophobicContact CG2-CD1 4.42Å; I190-L199 HydrophobicContact CG2-CD2 4.22Å |
| 191 | T | 66.9 | Low | 71.6 | Confident | 105 Ų | 105 | 70 Ų | 70 | 64% | 0.644 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.5 | -19.4 | 178.3 | 65.9 | 0 | 0 | 0 | 0 | 114.1 | N187 N188 A189 F193 | N187-T191 WeakPolarHBondContact O-CG2 2.95Å; N187-T191 PolarHBondContact O-N 2.94Å; N188-T191 PolarHBondContact O-N 2.89Å; N188-T191 PolarHBondContact O-OG1 3.47Å; A189-T191 VanDerWaalsContact C-N 3.28Å; A189-T191 PolarHBondContact O-N 3.02Å; T191-F193 VanDerWaalsContact C-N 3.32Å |
| 192 | A | 70 | Confident | 72.7 | Confident | 80 Ų | 80 | 71.6 Ų | 71.6 | 66% | 0.661 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -15.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A189 I190 | A189-A192 VanDerWaalsContact O-CB 3.31Å; A189-A192 WeakPolarHBondContact O-CB 3.46Å; A189-A192 PolarHBondContact O-N 3.44Å; A189-A192 VanDerWaalsContact O-N 3.1Å; I190-A192 PolarHBondContact O-N 2.93Å |
| 193 | F | 78.7 | Confident | 73.3 | Confident | 50 Ų | 50 | 72.1 Ų | 72.1 | 22% | 0.219 | 39% | 0.388 | C | S | . | . | trans | -99.5 | 142.9 | -177.1 | -60.3 | -78.6 | 0 | 0 | 0 | 111.6 | A189 I190 T191 D198 L199 Y202 R246 | A189-F193 WeakPolarHBondContact O-CD2 3.45Å; A189-F193 WeakPolarHBondContact O-CE2 3.18Å; I190-F193 PolarHBondContact O-N 2.9Å; T191-F193 VanDerWaalsContact C-N 3.32Å; F193-D198 HydrophobicContact CD1-CB 3.84Å; F193-L199 HydrophobicContact CB-CB 4.12Å; F193-L199 HydrophobicContact CD2-CD1 3.76Å; F193-L199 HydrophobicContact CE2-CD1 4.33Å; F193-L199 HydrophobicContact CG-CB 4.3Å; F193-L199 HydrophobicContact CG-CD1 4.38Å; F193-Y202 HydrophobicContact CE1-CD2 4.44Å; F193-Y202 HydrophobicContact CE1-CG 4.14Å; F193-Y202 AromaticContact CE2-CD1 3.64Å; F193-Y202 HydrophobicContact CE2-CD1 3.64Å; F193-Y202 HydrophobicContact CE2-CD2 4.41Å; F193-Y202 HydrophobicContact CE2-CE1 4.18Å; F193-Y202 AromaticContact CE2-CG 3.77Å; F193-Y202 HydrophobicContact CE2-CG 3.77Å; F193-Y202 VanDerWaalsContact CZ-CB 3.45Å; F193-Y202 AromaticContact CZ-CD1 3.66Å; F193-Y202 HydrophobicContact CZ-CD1 3.66Å; F193-Y202 AromaticContact CZ-CD2 3.62Å; F193-Y202 HydrophobicContact CZ-CD2 3.62Å; F193-Y202 HydrophobicContact CZ-CE1 4.3Å; F193-Y202 HydrophobicContact CZ-CE2 4.26Å; F193-Y202 AromaticContact CZ-CG 3.27Å; F193-Y202 HydrophobicContact CZ-CG 3.27Å; F193-R246 PolarHBondContact O-NH2 2.89Å | ||
| 194 | S | 70.5 | Confident | 74.2 | Confident | 66 Ų | 66 | 70.6 Ų | 70.6 | 46% | 0.462 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -104.3 | -15.6 | 177.6 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | R246 | S194-R246 VanDerWaalsContact CB-NH1 3.32Š|
| 195 | T | 82.2 | Confident | 75.2 | Confident | 45 Ų | 45 | 68.8 Ų | 68.8 | 28% | 0.276 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -126.6 | 148.8 | 179.8 | 75.9 | 0 | 0 | 0 | 0 | 109.8 | E197 D198 L199 N239 | T195-E197 PolarHBondContact O-N 3.25Å; T195-D198 PolarHBondContact O-N 3.44Å; T195-D198 WeakPolarHBondContact OG1-CB 3.42Å; T195-D198 PolarHBondContact OG1-N 3.33Å; T195-D198 PolarHBondContact OG1-OD2 3.46Å; T195-L199 PolarHBondContact O-N 2.77Å; T195-N239 WeakPolarHBondContact CA-OD1 3.36Å |
| 196 | L | 81.3 | Confident | 75.8 | Confident | 26 Ų | 26 | 72.1 Ų | 72.1 | 14% | 0.136 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62 | -35.2 | 173.7 | -176.3 | 64.9 | 0 | 0 | 0 | 111.8 | L199 I200 L212 L215 L238 N239 | L196-L199 PolarHBondContact O-N 2.8Å; L196-I200 HydrophobicContact CD1-CD1 3.95Å; L196-I200 HydrophobicContact CD1-CG1 4.21Å; L196-I200 HydrophobicContact CD2-CD1 4.39Å; L196-I200 HydrophobicContact CG-CD1 3.79Å; L196-I200 HydrophobicContact CG-CG1 4.37Å; L196-I200 VanDerWaalsContact O-CG1 3.3Å; L196-I200 WeakPolarHBondContact O-CG1 3.44Å; L196-I200 PolarHBondContact O-N 2.78Å; L196-L212 HydrophobicContact CD2-CD1 4.15Å; L196-L212 HydrophobicContact CG-CD1 4.27Å; L196-L215 HydrophobicContact CD2-CD1 4.36Å; L196-L238 HydrophobicContact CD2-CB 4.41Å; L196-L238 HydrophobicContact CD2-CD1 3.86Å; L196-N239 PolarHBondContact N-OD1 3.47Å |
| 197 | E | 82.6 | Confident | 76.6 | Confident | 82 Ų | 82 | 74.6 Ų | 74.6 | 38% | 0.383 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.4 | -48.8 | 178.5 | -176.4 | -177.8 | 166 | 0 | 0 | 111.8 | T195 L199 I200 R201 W208 | T195-E197 PolarHBondContact O-N 3.25Å; E197-L199 VanDerWaalsContact C-N 3.28Å; E197-L199 PolarHBondContact O-N 2.03Å; E197-I200 PolarHBondContact O-N 2.99Å; E197-R201 VanDerWaalsContact O-CB 3.25Å; E197-R201 WeakPolarHBondContact O-CB 3.43Å; E197-R201 PolarHBondContact O-N 3.33Å; E197-R201 IonicContact OE1-CZ 3.95Å; E197-R201 IonicContact OE1-NH1 2.82Å; E197-R201 IonicContact OE1-NH2 2.95Å; E197-R201 PolarHBondContact OE1-NH2 3.06Å; E197-W208 HydrophobicContact CG-CE3 4.2Å; E197-W208 HydrophobicContact CG-CH2 4.44Å; E197-W208 HydrophobicContact CG-CZ3 3.7Å |
| 198 | D | 82.4 | Confident | 77.3 | Confident | 60 Ų | 60 | 72.8 Ų | 72.8 | 32% | 0.321 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.1 | -35.1 | 179.6 | -63.9 | -40.4 | 0 | 0 | 0 | 111.6 | F193 T195 R201 Y202 | F193-D198 HydrophobicContact CD1-CB 3.84Å; T195-D198 PolarHBondContact O-N 3.44Å; T195-D198 WeakPolarHBondContact OG1-CB 3.42Å; T195-D198 PolarHBondContact OG1-N 3.33Å; T195-D198 PolarHBondContact OG1-OD2 3.46Å; D198-R201 IonicContact OD1-NH1 3.04Å; D198-R201 PolarHBondContact OD1-NH1 3.41Å; D198-Y202 WeakPolarHBondContact O-CB 3.25Å; D198-Y202 PolarHBondContact O-N 2.48Å |
| 199 | L | 84.1 | Confident | 78 | Confident | 32 Ų | 32 | 74 Ų | 74 | 17% | 0.168 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.5 | -52.4 | 175 | 176.5 | 63.1 | 0 | 0 | 0 | 111.5 | I190 F193 T195 L196 E197 R201 Y202 L203 | I190-L199 HydrophobicContact CB-CD1 4.36Å; I190-L199 HydrophobicContact CG1-CD1 3.86Å; I190-L199 HydrophobicContact CG2-CD1 4.42Å; I190-L199 HydrophobicContact CG2-CD2 4.22Å; F193-L199 HydrophobicContact CB-CB 4.12Å; F193-L199 HydrophobicContact CD2-CD1 3.76Å; F193-L199 HydrophobicContact CE2-CD1 4.33Å; F193-L199 HydrophobicContact CG-CB 4.3Å; F193-L199 HydrophobicContact CG-CD1 4.38Å; T195-L199 PolarHBondContact O-N 2.77Å; L196-L199 PolarHBondContact O-N 2.8Å; E197-L199 VanDerWaalsContact C-N 3.28Å; E197-L199 PolarHBondContact O-N 2.03Å; L199-R201 VanDerWaalsContact C-N 3.3Å; L199-R201 PolarHBondContact O-N 3.18Å; L199-Y202 WeakPolarHBondContact O-CB 3.4Å; L199-Y202 PolarHBondContact O-N 3.1Å; L199-Y202 VanDerWaalsContact O-N 3.12Å; L199-L203 HydrophobicContact CD1-CD1 3.93Å; L199-L203 HydrophobicContact CD1-CG 4.17Å; L199-L203 HydrophobicContact CG-CD1 3.99Å; L199-L203 VanDerWaalsContact O-CG 3.32Å; L199-L203 WeakPolarHBondContact O-CG 3.3Å; L199-L203 PolarHBondContact O-N 2.03Å |
| 200 | I | 81.9 | Confident | 78.6 | Confident | 20 Ų | 20 | 77.8 Ų | 77.8 | 10% | 0.103 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.8 | -37.4 | -178.1 | -63.4 | 173.6 | 0 | 0 | 0 | 110.3 | L196 E197 Y202 L203 E204 W208 D211 L212 L215 | L196-I200 HydrophobicContact CD1-CD1 3.95Å; L196-I200 HydrophobicContact CD1-CG1 4.21Å; L196-I200 HydrophobicContact CD2-CD1 4.39Å; L196-I200 HydrophobicContact CG-CD1 3.79Å; L196-I200 HydrophobicContact CG-CG1 4.37Å; L196-I200 VanDerWaalsContact O-CG1 3.3Å; L196-I200 WeakPolarHBondContact O-CG1 3.44Å; L196-I200 PolarHBondContact O-N 2.78Å; E197-I200 PolarHBondContact O-N 2.99Å; I200-Y202 VanDerWaalsContact C-N 3.29Å; I200-Y202 PolarHBondContact O-N 3.36Å; I200-L203 PolarHBondContact O-N 3Å; I200-E204 PolarHBondContact O-N 3.48Å; I200-W208 HydrophobicContact CB-CB 4.42Å; I200-W208 HydrophobicContact CG2-CB 3.66Å; I200-D211 HydrophobicContact CG2-CB 4.13Å; I200-L212 HydrophobicContact CD1-CD1 3.8Å; I200-L215 HydrophobicContact CD1-CD1 3.52Å |
| 201 | R | 81.1 | Confident | 78.7 | Confident | 84 Ų | 84 | 76.3 Ų | 76.3 | 32% | 0.317 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 173.1 | -174.4 | -176.3 | -65.2 | 130.6 | -0.6 | 112.8 | E197 D198 L199 P205 W208 | E197-R201 VanDerWaalsContact O-CB 3.25Å; E197-R201 WeakPolarHBondContact O-CB 3.43Å; E197-R201 PolarHBondContact O-N 3.33Å; E197-R201 IonicContact OE1-CZ 3.95Å; E197-R201 IonicContact OE1-NH1 2.82Å; E197-R201 IonicContact OE1-NH2 2.95Å; E197-R201 PolarHBondContact OE1-NH2 3.06Å; D198-R201 IonicContact OD1-NH1 3.04Å; D198-R201 PolarHBondContact OD1-NH1 3.41Å; L199-R201 VanDerWaalsContact C-N 3.3Å; L199-R201 PolarHBondContact O-N 3.18Å; R201-P205 VanDerWaalsContact O-CA 3.31Å; R201-P205 WeakPolarHBondContact O-CA 3.39Å; R201-P205 WeakPolarHBondContact O-CB 3.14Å; R201-W208 HydrophobicContact CB-CB 4.44Å; R201-W208 HydrophobicContact CB-CD2 4.4Å; R201-W208 HydrophobicContact CB-CG 4.21Å; R201-W208 HydrophobicContact CG-CG 4.44Å |
| 202 | Y | 79.8 | Confident | 79.2 | Confident | 121 Ų | 121 | 72.9 Ų | 72.9 | 48% | 0.475 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -71 | -37.7 | 175.7 | 177 | -101.9 | 0 | 0 | 0 | 112.4 | A189 F193 D198 L199 I200 | A189-Y202 HydrophobicContact CB-CE1 4.16Å; F193-Y202 HydrophobicContact CE1-CD2 4.44Å; F193-Y202 HydrophobicContact CE1-CG 4.14Å; F193-Y202 AromaticContact CE2-CD1 3.64Å; F193-Y202 HydrophobicContact CE2-CD1 3.64Å; F193-Y202 HydrophobicContact CE2-CD2 4.41Å; F193-Y202 HydrophobicContact CE2-CE1 4.18Å; F193-Y202 AromaticContact CE2-CG 3.77Å; F193-Y202 HydrophobicContact CE2-CG 3.77Å; F193-Y202 VanDerWaalsContact CZ-CB 3.45Å; F193-Y202 AromaticContact CZ-CD1 3.66Å; F193-Y202 HydrophobicContact CZ-CD1 3.66Å; F193-Y202 AromaticContact CZ-CD2 3.62Å; F193-Y202 HydrophobicContact CZ-CD2 3.62Å; F193-Y202 HydrophobicContact CZ-CE1 4.3Å; F193-Y202 HydrophobicContact CZ-CE2 4.26Å; F193-Y202 AromaticContact CZ-CG 3.27Å; F193-Y202 HydrophobicContact CZ-CG 3.27Å; D198-Y202 WeakPolarHBondContact O-CB 3.25Å; D198-Y202 PolarHBondContact O-N 2.48Å; L199-Y202 WeakPolarHBondContact O-CB 3.4Å; L199-Y202 PolarHBondContact O-N 3.1Å; L199-Y202 VanDerWaalsContact O-N 3.12Å; I200-Y202 VanDerWaalsContact C-N 3.29Å; I200-Y202 PolarHBondContact O-N 3.36Å |
| 203 | L | 80.3 | Confident | 79.4 | Confident | 83 Ų | 83 | 75.4 Ų | 75.4 | 44% | 0.435 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -77.2 | -46.9 | -178 | -65 | 175.4 | 0 | 0 | 0 | 112.8 | L186 L199 I200 | L186-L203 HydrophobicContact CD1-CD2 3.68Å; L199-L203 HydrophobicContact CD1-CD1 3.93Å; L199-L203 HydrophobicContact CD1-CG 4.17Å; L199-L203 HydrophobicContact CG-CD1 3.99Å; L199-L203 VanDerWaalsContact O-CG 3.32Å; L199-L203 WeakPolarHBondContact O-CG 3.3Å; L199-L203 PolarHBondContact O-N 2.03Å; I200-L203 PolarHBondContact O-N 3Å |
| 204 | E | 80.2 | Confident | 79.2 | Confident | 92 Ų | 92 | 77.4 Ų | 77.4 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | trans | -134 | 76.6 | -179.2 | -69.3 | -154.5 | -169.9 | 0 | 0 | 111.4 | I200 D206 R207 W208 | I200-E204 PolarHBondContact O-N 3.48Å; E204-D206 PolarHBondContact O-N 3.38Å; E204-D206 VanDerWaalsContact O-N 3.11Å; E204-R207 PolarHBondContact O-N 3.19Å; E204-R207 IonicContact OE2-NH1 3.19Å; E204-R207 PolarHBondContact OE2-NH1 3.32Å; E204-W208 WeakPolarHBondContact O-CB 3.39Å; E204-W208 PolarHBondContact O-N 2.92Å | ||
| 205 | P | 79.7 | Confident | 79 | Confident | 79 Ų | 79 | 79.1 Ų | 79.1 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.3 | -175.3 | 23.4 | -33.7 | 0 | 0 | 0 | 114.2 | R201 W208 | R201-P205 VanDerWaalsContact O-CA 3.31Å; R201-P205 WeakPolarHBondContact O-CA 3.39Å; R201-P205 WeakPolarHBondContact O-CB 3.14Å; P205-W208 VanDerWaalsContact O-CD1 3.27Å |
| 206 | D | 74.7 | Confident | 78.1 | Confident | 159 Ų | 159 | 81.3 Ų | 81.3 | 85% | 0.85 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -17.5 | -177.3 | -61.8 | -39.8 | 0 | 0 | 0 | 113.4 | E204 | E204-D206 PolarHBondContact O-N 3.38Å; E204-D206 VanDerWaalsContact O-N 3.11Å |
| 207 | R | 81.8 | Confident | 77.2 | Confident | 107 Ų | 107 | 88.2 Ų | 88.2 | 40% | 0.404 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | 0.3 | -173.8 | -72.5 | -174.3 | 60.7 | -95.4 | -11.3 | 115.2 | E204 Q209 L210 D211 | E204-R207 PolarHBondContact O-N 3.19Å; E204-R207 IonicContact OE2-NH1 3.19Å; E204-R207 PolarHBondContact OE2-NH1 3.32Å; R207-Q209 PolarHBondContact O-N 2.98Å; R207-L210 PolarHBondContact O-N 3.48Å; R207-D211 IonicContact CZ-OD1 3.5Å; R207-D211 VanDerWaalsContact CZ-OD1 3.24Å; R207-D211 IonicContact NH1-OD1 2.76Å; R207-D211 PolarHBondContact NH1-OD1 2.9Å; R207-D211 IonicContact NH1-OD2 2.89Å; R207-D211 PolarHBondContact NH1-OD2 3.08Å; R207-D211 IonicContact NH2-OD1 2.93Å; R207-D211 PolarHBondContact NH2-OD1 2.87Å; R207-D211 PolarHBondContact O-N 2.91Å; R207-D211 VanDerWaalsContact O-N 3.13Å |
| 208 | W | 80.8 | Confident | 75.7 | Confident | 48 Ų | 48 | 89.6 Ų | 89.6 | 18% | 0.182 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -51.1 | -32.5 | -174.1 | 71.7 | -84 | 0 | 0 | 0 | 115.4 | E197 I200 R201 E204 P205 L212 | E197-W208 HydrophobicContact CG-CE3 4.2Å; E197-W208 HydrophobicContact CG-CH2 4.44Å; E197-W208 HydrophobicContact CG-CZ3 3.7Å; I200-W208 HydrophobicContact CB-CB 4.42Å; I200-W208 HydrophobicContact CG2-CB 3.66Å; R201-W208 HydrophobicContact CB-CB 4.44Å; R201-W208 HydrophobicContact CB-CD2 4.4Å; R201-W208 HydrophobicContact CB-CG 4.21Å; R201-W208 HydrophobicContact CG-CG 4.44Å; E204-W208 WeakPolarHBondContact O-CB 3.39Å; E204-W208 PolarHBondContact O-N 2.92Å; P205-W208 VanDerWaalsContact O-CD1 3.27Å; W208-L212 HydrophobicContact CE3-CD2 4.48Å; W208-L212 HydrophobicContact CZ3-CD2 4.24Å; W208-L212 WeakPolarHBondContact O-CB 3.34Å; W208-L212 PolarHBondContact O-N 3.44Å |
| 209 | Q | 78.3 | Confident | 74.2 | Confident | 130 Ų | 130 | 90.4 Ų | 90.4 | 61% | 0.607 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67 | -43.9 | 178.3 | -67.4 | -177.5 | -39.1 | 0 | 0 | 112 | R207 E213 | R207-Q209 PolarHBondContact O-N 2.98Å; Q209-E213 VanDerWaalsContact O-CB 3.3Å; Q209-E213 WeakPolarHBondContact O-CB 3.21Å; Q209-E213 PolarHBondContact O-N 2.91Å |
| 210 | L | 80.4 | Confident | 72.6 | Confident | 99 Ų | 99 | 100 Ų | 100 | 52% | 0.518 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.2 | -42.1 | 178 | -66.2 | 171.8 | 0 | 0 | 0 | 110.6 | R207 E213 D214 | R207-L210 PolarHBondContact O-N 3.48Å; L210-E213 PolarHBondContact O-N 3.13Å; L210-D214 WeakPolarHBondContact O-CB 2.95Å; L210-D214 PolarHBondContact O-N 2.93Å |
| 211 | D | 75.8 | Confident | 71.1 | Confident | 35 Ų | 35 | 105.9 Ų | 105.9 | 19% | 0.187 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -67.6 | -37.4 | 179.3 | -59.5 | -37.9 | 0 | 0 | 0 | 111.6 | I200 R207 L215 | I200-D211 HydrophobicContact CG2-CB 4.13Å; R207-D211 IonicContact CZ-OD1 3.5Å; R207-D211 VanDerWaalsContact CZ-OD1 3.24Å; R207-D211 IonicContact NH1-OD1 2.76Å; R207-D211 PolarHBondContact NH1-OD1 2.9Å; R207-D211 IonicContact NH1-OD2 2.89Å; R207-D211 PolarHBondContact NH1-OD2 3.08Å; R207-D211 IonicContact NH2-OD1 2.93Å; R207-D211 PolarHBondContact NH2-OD1 2.87Å; R207-D211 PolarHBondContact O-N 2.91Å; R207-D211 VanDerWaalsContact O-N 3.13Å; D211-L215 VanDerWaalsContact O-CG 3.28Å; D211-L215 WeakPolarHBondContact O-CG 3.2Å; D211-L215 PolarHBondContact O-N 3.2Å |
| 212 | L | 76.9 | Confident | 69.6 | Low | 33 Ų | 33 | 108.8 Ų | 108.8 | 17% | 0.173 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -67.2 | -41.1 | 174.3 | -167.1 | 74.7 | 0 | 0 | 0 | 111.4 | L196 I200 W208 L215 Y216 | L196-L212 HydrophobicContact CD2-CD1 4.15Å; L196-L212 HydrophobicContact CG-CD1 4.27Å; I200-L212 HydrophobicContact CD1-CD1 3.8Å; W208-L212 HydrophobicContact CE3-CD2 4.48Å; W208-L212 HydrophobicContact CZ3-CD2 4.24Å; W208-L212 WeakPolarHBondContact O-CB 3.34Å; W208-L212 PolarHBondContact O-N 3.44Å; L212-L215 PolarHBondContact O-N 3.35Å; L212-Y216 HydrophobicContact CD1-CE2 3.89Å; L212-Y216 HydrophobicContact CG-CD2 4.3Å; L212-Y216 HydrophobicContact CG-CE2 4.04Å; L212-Y216 WeakPolarHBondContact O-CD2 3.37Å; L212-Y216 PolarHBondContact O-N 3.1Å |
| 213 | E | 73.8 | Confident | 68.1 | Low | 132 Ų | 132 | 107.2 Ų | 107.2 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.5 | -39.5 | 179.1 | -168.5 | 167.9 | -165.9 | 0 | 0 | 112.1 | Q209 L210 L215 Y216 R217 | Q209-E213 VanDerWaalsContact O-CB 3.3Å; Q209-E213 WeakPolarHBondContact O-CB 3.21Å; Q209-E213 PolarHBondContact O-N 2.91Å; L210-E213 PolarHBondContact O-N 3.13Å; E213-L215 PolarHBondContact O-N 3.17Å; E213-Y216 PolarHBondContact O-N 2.68Å; E213-R217 PolarHBondContact O-N 3.34Å |
| 214 | D | 74.5 | Confident | 66.6 | Low | 92 Ų | 92 | 105.6 Ų | 105.6 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.2 | -34.9 | 174.5 | -87 | -11.5 | 0 | 0 | 0 | 112.7 | L210 Y216 R217 | L210-D214 WeakPolarHBondContact O-CB 2.95Å; L210-D214 PolarHBondContact O-N 2.93Å; D214-Y216 VanDerWaalsContact C-N 3.33Å; D214-Y216 PolarHBondContact O-N 3.32Å; D214-R217 PolarHBondContact O-N 3.26Å |
| 215 | L | 66.6 | Low | 65.2 | Low | 103 Ų | 103 | 110.4 Ų | 110.4 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.5 | -34.4 | 176 | -77.3 | 169.3 | 0 | 0 | 0 | 113.3 | L196 I200 D211 L212 E213 | L196-L215 HydrophobicContact CD2-CD1 4.36Å; I200-L215 HydrophobicContact CD1-CD1 3.52Å; D211-L215 VanDerWaalsContact O-CG 3.28Å; D211-L215 WeakPolarHBondContact O-CG 3.2Å; D211-L215 PolarHBondContact O-N 3.2Å; L212-L215 PolarHBondContact O-N 3.35Å; E213-L215 PolarHBondContact O-N 3.17Å |
| 216 | Y | 63 | Low | 63.5 | Low | 91 Ų | 91 | 110.6 Ų | 110.6 | 36% | 0.357 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -92.4 | -7.3 | 179.1 | -69.4 | -66.2 | 0 | 0 | 0 | 113.3 | L212 E213 D214 P218 V235 | L212-Y216 HydrophobicContact CD1-CE2 3.89Å; L212-Y216 HydrophobicContact CG-CD2 4.3Å; L212-Y216 HydrophobicContact CG-CE2 4.04Å; L212-Y216 WeakPolarHBondContact O-CD2 3.37Å; L212-Y216 PolarHBondContact O-N 3.1Å; E213-Y216 PolarHBondContact O-N 2.68Å; D214-Y216 VanDerWaalsContact C-N 3.33Å; D214-Y216 PolarHBondContact O-N 3.32Å; Y216-P218 WeakPolarHBondContact O-CD 3.13Å; Y216-V235 HydrophobicContact CD1-CG1 3.51Å; Y216-V235 HydrophobicContact CE1-CG1 3.66Å |
| 217 | R | 62.6 | Low | 62 | Low | 170 Ų | 170 | 109.3 Ų | 109.3 | 64% | 0.642 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -71.6 | 123.9 | 176.3 | -144.3 | 174.3 | -165 | -177.6 | 4.5 | 109.5 | E213 D214 T219 | E213-R217 PolarHBondContact O-N 3.34Å; D214-R217 PolarHBondContact O-N 3.26Å; R217-T219 VanDerWaalsContact C-N 3.33Å; R217-T219 PolarHBondContact O-N 3.5Å; R217-T219 PolarHBondContact O-OG1 2.99Å |
| 218 | P | 51.7 | Low | 60.5 | Low | 112 Ų | 112 | 109.5 Ų | 109.5 | 73% | 0.727 | 55% | 0.551 | S | S | * | * | trans | -69.4 | 88.4 | -179.3 | 25.8 | -31.8 | 0 | 0 | 0 | 110.7 | Y216 | Y216-P218 WeakPolarHBondContact O-CD 3.13Š| ||
| 219 | T | 50.8 | Low | 58.8 | Low | 76 Ų | 76 | 115.6 Ų | 115.6 | 47% | 0.466 | 58% | 0.579 | S | S | . | * | trans | -82.1 | 115.6 | 170.4 | 16.6 | 0 | 0 | 0 | 0 | 108.8 | R217 Q221 L222 | R217-T219 VanDerWaalsContact C-N 3.33Å; R217-T219 PolarHBondContact O-N 3.5Å; R217-T219 PolarHBondContact O-OG1 2.99Å; T219-Q221 PolarHBondContact O-N 3.22Å; T219-L222 PolarHBondContact O-N 3.41Å; T219-L222 VanDerWaalsContact O-N 3.14Å | ||
| 220 | W | 50.8 | Low | 57.2 | Low | 234 Ų | 234 | 113.1 Ų | 113.1 | 89% | 0.886 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -11.1 | 178.3 | -68.3 | 21.7 | 0 | 0 | 0 | 112.6 | ||
| 221 | Q | 50.5 | Low | 55.4 | Low | 144 Ų | 144 | 120 Ų | 120 | 67% | 0.673 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -9.1 | 178.5 | -66.1 | -178.9 | -16.3 | 0 | 0 | 114.2 | T219 | T219-Q221 PolarHBondContact O-N 3.22Š|
| 222 | L | 47.9 | Very low | 54 | Low | 145 Ų | 145 | 128.9 Ų | 128.9 | 76% | 0.759 | 65% | 0.645 | S | S | * | * | trans | -122.7 | 29.7 | -176.4 | -114.2 | 122.7 | 0 | 0 | 0 | 113.1 | T219 G224 | T219-L222 PolarHBondContact O-N 3.41Å; T219-L222 VanDerWaalsContact O-N 3.14Å; L222-G224 PolarHBondContact O-N 3.12Å | ||
| 223 | L | 49.4 | Very low | 52.5 | Low | 87 Ų | 87 | 131.7 Ų | 131.7 | 46% | 0.455 | 67% | 0.667 | S | S | . | * | trans | -70.4 | 98.3 | 172.7 | -69.1 | 178.2 | 0 | 0 | 0 | 110 | F227 | L223-F227 HydrophobicContact CB-CB 4.2Å; L223-F227 HydrophobicContact CD1-CD1 3.76Å; L223-F227 HydrophobicContact CD1-CE1 4.05Å; L223-F227 HydrophobicContact CD1-CG 4.32Å; L223-F227 HydrophobicContact CD2-CB 3.91Å; L223-F227 HydrophobicContact CD2-CD1 3.59Å; L223-F227 HydrophobicContact CD2-CD2 3.49Å; L223-F227 VanDerWaalsContact CD2-CD2 3.49Å; L223-F227 HydrophobicContact CD2-CE1 3.84Å; L223-F227 HydrophobicContact CD2-CE2 3.75Å; L223-F227 HydrophobicContact CD2-CG 3.4Å; L223-F227 HydrophobicContact CD2-CZ 3.91Å; L223-F227 HydrophobicContact CG-CB 4.49Å; L223-F227 HydrophobicContact CG-CD1 4.21Å; L223-F227 HydrophobicContact CG-CG 4.28Å | ||
| 224 | G | 48.2 | Very low | 51.7 | Low | 49 Ų | 49 | 136.4 Ų | 136.4 | 51% | 0.505 | 68% | 0.679 | S | S | . | * | trans | -56.9 | 151.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L222 A226 F227 | L222-G224 PolarHBondContact O-N 3.12Å; G224-A226 PolarHBondContact O-N 3.42Å; G224-F227 PolarHBondContact O-N 3.11Å | ||
| 225 | K | 50.2 | Low | 50.8 | Low | 193 Ų | 193 | 135.9 Ų | 135.9 | 84% | 0.839 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -50.6 | -19.1 | -175.3 | -66 | -178.8 | 178.8 | 177.6 | 0 | 115.1 | F227 V228 | K225-F227 VanDerWaalsContact C-N 3.26Å; K225-F227 PolarHBondContact O-N 2.92Å; K225-V228 PolarHBondContact O-N 3.2Å |
| 226 | A | 44.7 | Very low | 50.6 | Low | 84 Ų | 84 | 135.1 Ų | 135.1 | 69% | 0.694 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -65.6 | -22.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G224 V228 | G224-A226 PolarHBondContact O-N 3.42Å; A226-V228 VanDerWaalsContact C-N 3.32Å |
| 227 | F | 43.6 | Very low | 51.1 | Low | 132 Ų | 132 | 134.4 Ų | 134.4 | 58% | 0.579 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -76.8 | -19.7 | 179 | -149.5 | -95.6 | 0 | 0 | 0 | 113.2 | L223 G224 K225 | L223-F227 HydrophobicContact CB-CB 4.2Å; L223-F227 HydrophobicContact CD1-CD1 3.76Å; L223-F227 HydrophobicContact CD1-CE1 4.05Å; L223-F227 HydrophobicContact CD1-CG 4.32Å; L223-F227 HydrophobicContact CD2-CB 3.91Å; L223-F227 HydrophobicContact CD2-CD1 3.59Å; L223-F227 HydrophobicContact CD2-CD2 3.49Å; L223-F227 VanDerWaalsContact CD2-CD2 3.49Å; L223-F227 HydrophobicContact CD2-CE1 3.84Å; L223-F227 HydrophobicContact CD2-CE2 3.75Å; L223-F227 HydrophobicContact CD2-CG 3.4Å; L223-F227 HydrophobicContact CD2-CZ 3.91Å; L223-F227 HydrophobicContact CG-CB 4.49Å; L223-F227 HydrophobicContact CG-CD1 4.21Å; L223-F227 HydrophobicContact CG-CG 4.28Å; G224-F227 PolarHBondContact O-N 3.11Å; K225-F227 VanDerWaalsContact C-N 3.26Å; K225-F227 PolarHBondContact O-N 2.92Å |
| 228 | V | 49.5 | Very low | 51.7 | Low | 111 Ų | 111 | 129.9 Ų | 129.9 | 67% | 0.673 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -24.5 | -171.6 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | K225 A226 | K225-V228 PolarHBondContact O-N 3.2Å; A226-V228 VanDerWaalsContact C-N 3.32Å |
| 229 | F | 45.4 | Very low | 53 | Low | 176 Ų | 176 | 126.7 Ų | 126.7 | 77% | 0.772 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -101.8 | 105.1 | 178.8 | -75.6 | -82 | 0 | 0 | 0 | 110.5 | R231 | F229-R231 PolarHBondContact O-N 2.83Š|
| 230 | G | 44.8 | Very low | 54.3 | Low | 78 Ų | 78 | 127.2 Ų | 127.2 | 80% | 0.804 | 65% | 0.645 | S | S | * | * | trans | -51 | 105.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 231 | R | 42.5 | Very low | 55.4 | Low | 242 Ų | 242 | 119.7 Ų | 119.7 | 91% | 0.913 | 62% | 0.622 | S | S | * | * | trans | -139.1 | 134.8 | 140 | -82.1 | -169.3 | 173.6 | 166.5 | -1.9 | 108.5 | F229 S233 | F229-R231 PolarHBondContact O-N 2.83Å; R231-S233 PolarHBondContact O-N 3.39Å | ||
| 232 | K | 47 | Very low | 56.6 | Low | 223 Ų | 223 | 115.6 Ų | 115.6 | 97% | 0.97 | 61% | 0.607 | S | S | * | * | trans | -61.5 | 92.2 | 179.1 | -63.9 | 175.3 | 177.6 | 179.5 | 0 | 110.1 | ||||
| 233 | S | 45.4 | Very low | 57.9 | Low | 91 Ų | 91 | 114.6 Ų | 114.6 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | trans | -145.2 | 106.3 | 154.3 | -164.7 | 0 | 0 | 0 | 0 | 107.6 | R231 | R231-S233 PolarHBondContact O-N 3.39Š| ||
| 234 | R | 57.1 | Low | 59.2 | Low | 232 Ų | 232 | 115.2 Ų | 115.2 | 88% | 0.875 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -68.7 | 129.8 | 166.4 | -68 | 178.1 | -179.9 | -178.4 | -1.5 | 105.6 | ||
| 235 | V | 54.6 | Low | 60.6 | Low | 81 Ų | 81 | 117 Ų | 117 | 49% | 0.491 | 60% | 0.599 | S | S | . | * | S | Bend | trans | 72.8 | 126.9 | 179 | -171.6 | 0 | 0 | 0 | 0 | 113.8 | Y216 | Y216-V235 HydrophobicContact CD1-CG1 3.51Å; Y216-V235 HydrophobicContact CE1-CG1 3.66Å |
| 236 | V | 63.1 | Low | 61.8 | Low | 86 Ų | 86 | 112.5 Ų | 112.5 | 52% | 0.521 | 58% | 0.577 | S | S | . | * | trans | -83.5 | 115.1 | 169.3 | 172.3 | 0 | 0 | 0 | 0 | 106.9 | L238 L241 | V236-L238 HydrophobicContact CG1-CD2 4.17Å; V236-L238 PolarHBondContact O-N 2.96Å; V236-L241 HydrophobicContact CG1-CD1 3.26Å; V236-L241 HydrophobicContact CG1-CG 4.4Å | ||
| 237 | D | 72.7 | Confident | 63.4 | Low | 76 Ų | 76 | 113.3 Ų | 113.3 | 41% | 0.406 | 57% | 0.569 | S | S | . | * | trans | -78.4 | 104.1 | 174 | -174.2 | -17 | 0 | 0 | 0 | 109.4 | N239 L240 L241 | D237-N239 VanDerWaalsContact C-N 3.26Å; D237-N239 PolarHBondContact O-N 2.76Å; D237-N239 WeakPolarHBondContact OD1-CA 3.31Å; D237-N239 VanDerWaalsContact OD1-CB 3.32Å; D237-N239 WeakPolarHBondContact OD1-CB 3.32Å; D237-N239 PolarHBondContact OD1-N 2.68Å; D237-L240 HydrophobicContact CB-CB 3.86Å; D237-L240 PolarHBondContact O-N 3.19Å; D237-L240 PolarHBondContact OD1-N 2.9Å; D237-L240 VanDerWaalsContact OD1-N 3.14Å; D237-L241 PolarHBondContact O-N 2.68Å; D237-L241 VanDerWaalsContact O-N 3.08Å | ||
| 238 | L | 76.6 | Confident | 65.2 | Low | 76 Ų | 76 | 114.1 Ų | 114.1 | 40% | 0.398 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.5 | -25.3 | -179.4 | -65.3 | 174.6 | 0 | 0 | 0 | 112.4 | L196 V236 L241 T242 | L196-L238 HydrophobicContact CD2-CB 4.41Å; L196-L238 HydrophobicContact CD2-CD1 3.86Å; V236-L238 HydrophobicContact CG1-CD2 4.17Å; V236-L238 PolarHBondContact O-N 2.96Å; L238-L241 HydrophobicContact CD2-CD1 4.19Å; L238-T242 WeakPolarHBondContact O-CB 3.31Å; L238-T242 PolarHBondContact O-N 2.79Å; L238-T242 PolarHBondContact O-OG1 3.46Å |
| 239 | N | 77.8 | Confident | 66.9 | Low | 44 Ų | 44 | 110.3 Ų | 110.3 | 24% | 0.235 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -71.5 | -45.3 | 174.2 | -62.8 | -41.4 | 0 | 0 | 0 | 110 | T195 L196 D237 L241 T242 E243 | T195-N239 WeakPolarHBondContact CA-OD1 3.36Å; L196-N239 PolarHBondContact N-OD1 3.47Å; D237-N239 VanDerWaalsContact C-N 3.26Å; D237-N239 PolarHBondContact O-N 2.76Å; D237-N239 WeakPolarHBondContact OD1-CA 3.31Å; D237-N239 VanDerWaalsContact OD1-CB 3.32Å; D237-N239 WeakPolarHBondContact OD1-CB 3.32Å; D237-N239 PolarHBondContact OD1-N 2.68Å; N239-L241 VanDerWaalsContact C-N 3.33Å; N239-L241 PolarHBondContact O-N 2.89Å; N239-T242 WeakPolarHBondContact O-CA 3.45Å; N239-T242 WeakPolarHBondContact O-CB 3.49Å; N239-T242 PolarHBondContact O-N 3.16Å; N239-E243 WeakPolarHBondContact O-CG 3.46Å; N239-E243 PolarHBondContact O-N 3.23Å |
| 240 | L | 78 | Confident | 69 | Low | 88 Ų | 88 | 102.7 Ų | 102.7 | 46% | 0.461 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 175.6 | -177.8 | 64.5 | 0 | 0 | 0 | 111.6 | D237 T242 E243 E244 | D237-L240 HydrophobicContact CB-CB 3.86Å; D237-L240 PolarHBondContact O-N 3.19Å; D237-L240 PolarHBondContact OD1-N 2.9Å; D237-L240 VanDerWaalsContact OD1-N 3.14Å; L240-T242 VanDerWaalsContact C-N 3.3Å; L240-T242 PolarHBondContact O-N 3.27Å; L240-E243 PolarHBondContact O-N 3.12Å; L240-E244 WeakPolarHBondContact O-CG 3.42Å; L240-E244 PolarHBondContact O-N 3.22Å |
| 241 | L | 74.2 | Confident | 71.2 | Confident | 76 Ų | 76 | 101.1 Ų | 101.1 | 40% | 0.398 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 174.1 | -79 | 168.2 | 0 | 0 | 0 | 112.2 | V236 D237 L238 N239 E243 E244 V245 | V236-L241 HydrophobicContact CG1-CD1 3.26Å; V236-L241 HydrophobicContact CG1-CG 4.4Å; D237-L241 PolarHBondContact O-N 2.68Å; D237-L241 VanDerWaalsContact O-N 3.08Å; L238-L241 HydrophobicContact CD2-CD1 4.19Å; N239-L241 VanDerWaalsContact C-N 3.33Å; N239-L241 PolarHBondContact O-N 2.89Å; L241-E243 VanDerWaalsContact C-N 3.35Å; L241-E244 PolarHBondContact O-N 2.91Å; L241-V245 WeakPolarHBondContact O-CB 3.48Å; L241-V245 VanDerWaalsContact O-CG2 3.25Å; L241-V245 WeakPolarHBondContact O-CG2 3.09Å; L241-V245 PolarHBondContact O-N 2.9Å |
| 242 | T | 75.6 | Confident | 73.6 | Confident | 58 Ų | 58 | 91.6 Ų | 91.6 | 36% | 0.356 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 176.9 | -60 | 0 | 0 | 0 | 0 | 111.3 | L238 N239 L240 V245 R246 | L238-T242 WeakPolarHBondContact O-CB 3.31Å; L238-T242 PolarHBondContact O-N 2.79Å; L238-T242 PolarHBondContact O-OG1 3.46Å; N239-T242 WeakPolarHBondContact O-CA 3.45Å; N239-T242 WeakPolarHBondContact O-CB 3.49Å; N239-T242 PolarHBondContact O-N 3.16Å; L240-T242 VanDerWaalsContact C-N 3.3Å; L240-T242 PolarHBondContact O-N 3.27Å; T242-V245 PolarHBondContact O-N 3.48Å; T242-R246 WeakPolarHBondContact O-CB 3.31Å; T242-R246 VanDerWaalsContact O-CG 3.29Å; T242-R246 WeakPolarHBondContact O-CG 3.37Å; T242-R246 PolarHBondContact O-N 3.41Å |
| 243 | E | 75.9 | Confident | 75.8 | Confident | 124 Ų | 124 | 84.8 Ų | 84.8 | 58% | 0.579 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.8 | -43.1 | 175.3 | -70.4 | -174.2 | 166.8 | 0 | 0 | 112.3 | N239 L240 L241 R246 L247 | N239-E243 WeakPolarHBondContact O-CG 3.46Å; N239-E243 PolarHBondContact O-N 3.23Å; L240-E243 PolarHBondContact O-N 3.12Å; L241-E243 VanDerWaalsContact C-N 3.35Å; E243-R246 PolarHBondContact O-N 3.37Å; E243-L247 PolarHBondContact O-N 3.3Å |
| 244 | E | 76.3 | Confident | 78.1 | Confident | 99 Ų | 99 | 85.6 Ų | 85.6 | 46% | 0.463 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 174.8 | -75.6 | -176 | 173.7 | 0 | 0 | 111.3 | L240 L241 R246 L247 Y248 | L240-E244 WeakPolarHBondContact O-CG 3.42Å; L240-E244 PolarHBondContact O-N 3.22Å; L241-E244 PolarHBondContact O-N 2.91Å; E244-R246 PolarHBondContact O-N 2.67Å; E244-L247 WeakPolarHBondContact O-CB 3.41Å; E244-L247 PolarHBondContact O-N 3.25Å; E244-Y248 WeakPolarHBondContact O-CD2 3.46Å; E244-Y248 PolarHBondContact O-N 3.02Å |
| 245 | V | 76.8 | Confident | 79.9 | Confident | 86 Ų | 86 | 80.2 Ų | 80.2 | 52% | 0.521 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | L241 T242 L247 Y248 S249 | L241-V245 WeakPolarHBondContact O-CB 3.48Å; L241-V245 VanDerWaalsContact O-CG2 3.25Å; L241-V245 WeakPolarHBondContact O-CG2 3.09Å; L241-V245 PolarHBondContact O-N 2.9Å; T242-V245 PolarHBondContact O-N 3.48Å; V245-L247 VanDerWaalsContact C-N 3.28Å; V245-L247 PolarHBondContact O-N 3.42Å; V245-Y248 PolarHBondContact O-N 3.08Å; V245-Y248 VanDerWaalsContact O-N 3.16Å; V245-S249 VanDerWaalsContact O-CB 3.31Å; V245-S249 WeakPolarHBondContact O-CB 3.5Å; V245-S249 PolarHBondContact O-N 2.91Å; V245-S249 PolarHBondContact O-OG 3.48Å |
| 246 | R | 76 | Confident | 81.9 | Confident | 99 Ų | 99 | 79.9 Ų | 79.9 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.9 | -37.7 | 175.5 | -79.3 | 176.2 | 175.6 | 177.5 | 0.1 | 112.3 | F193 S194 T242 E243 E244 Y248 S249 | F193-R246 PolarHBondContact O-NH2 2.89Å; S194-R246 VanDerWaalsContact CB-NH1 3.32Å; T242-R246 WeakPolarHBondContact O-CB 3.31Å; T242-R246 VanDerWaalsContact O-CG 3.29Å; T242-R246 WeakPolarHBondContact O-CG 3.37Å; T242-R246 PolarHBondContact O-N 3.41Å; E243-R246 PolarHBondContact O-N 3.37Å; E244-R246 PolarHBondContact O-N 2.67Å; R246-Y248 PolarHBondContact O-N 3.41Å; R246-S249 PolarHBondContact O-N 3.35Å |
| 247 | L | 79 | Confident | 83.5 | Confident | 102 Ų | 102 | 76 Ų | 76 | 53% | 0.534 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.7 | -26.5 | 178.3 | -175.3 | 65.6 | 0 | 0 | 0 | 112.9 | E243 E244 V245 R253 | E243-L247 PolarHBondContact O-N 3.3Å; E244-L247 WeakPolarHBondContact O-CB 3.41Å; E244-L247 PolarHBondContact O-N 3.25Å; V245-L247 VanDerWaalsContact C-N 3.28Å; V245-L247 PolarHBondContact O-N 3.42Å; L247-R253 PolarHBondContact O-NH1 3.07Å; L247-R253 PolarHBondContact O-NH2 2.03Å |
| 248 | Y | 81.2 | Confident | 84.5 | Confident | 148 Ų | 148 | 73.7 Ų | 73.7 | 58% | 0.58 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -106.2 | -12.4 | 177.2 | -59.1 | -71.7 | 0 | 0 | 0 | 113.7 | E244 V245 R246 G282 N283 | E244-Y248 WeakPolarHBondContact O-CD2 3.46Å; E244-Y248 PolarHBondContact O-N 3.02Å; V245-Y248 PolarHBondContact O-N 3.08Å; V245-Y248 VanDerWaalsContact O-N 3.16Å; R246-Y248 PolarHBondContact O-N 3.41Å; Y248-G282 WeakPolarHBondContact O-CA 3.32Å; Y248-N283 PolarHBondContact O-N 2.86Å |
| 249 | S | 85.3 | Confident | 85.4 | Confident | 31 Ų | 31 | 70.1 Ų | 70.1 | 22% | 0.217 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -77.1 | 161.5 | 179.6 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | V245 R246 T251 R253 N283 | V245-S249 VanDerWaalsContact O-CB 3.31Å; V245-S249 WeakPolarHBondContact O-CB 3.5Å; V245-S249 PolarHBondContact O-N 2.91Å; V245-S249 PolarHBondContact O-OG 3.48Å; R246-S249 PolarHBondContact O-N 3.35Å; S249-T251 PolarHBondContact O-N 3.14Å; S249-T251 VanDerWaalsContact O-N 3.09Å; S249-T251 PolarHBondContact O-OG1 3.43Å; S249-R253 PolarHBondContact O-NH2 2.97Å; S249-N283 CarbonylContact C-O 3.49Å; S249-N283 WeakPolarHBondContact CA-O 3.44Å |
| 250 | C | 89.4 | Confident | 86.1 | Confident | 16 Ų | 16 | 73.9 Ų | 73.9 | 11% | 0.108 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -59.9 | 105 | 174.5 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | N283 C296 C337 | C250-N283 PolarHBondContact N-O 2.69Å; C250-C296 WeakPolarHBondContact CA-SG 3.45Å; C250-C296 HydrophobicContact CB-CB 3.71Å; C250-C296 WeakPolarHBondContact CB-SG 3.43Å; C250-C296 WeakPolarHBondContact SG-CA 3.4Å; C250-C296 WeakPolarHBondContact SG-CB 3.44Å; C250-C296 CovalentContact SG-SG 2.03Å; C250-C296 PolarHBondContact SG-SG 3.16Å; C250-C337 WeakPolarHBondContact CB-SG 3.42Å |
| 251 | T | 90.6 | Very high | 86.8 | Confident | 45 Ų | 45 | 76.9 Ų | 76.9 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 160.9 | -176.6 | 50.4 | 0 | 0 | 0 | 0 | 111.8 | S249 R253 G281 C335 | S249-T251 PolarHBondContact O-N 3.14Å; S249-T251 VanDerWaalsContact O-N 3.09Å; S249-T251 PolarHBondContact O-OG1 3.43Å; T251-R253 PolarHBondContact O-N 2.9Å; T251-G281 PolarHBondContact N-O 3.33Å; T251-G281 PolarHBondContact O-N 3.32Å; T251-G281 VanDerWaalsContact O-N 3.12Å; T251-C335 VanDerWaalsContact C-SG 3.59Å |
| 252 | P | 94 | Very high | 87.7 | Confident | 43 Ų | 43 | 76.8 Ų | 76.8 | 28% | 0.279 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 114.6 | 172.7 | -19.1 | 30.2 | 0 | 0 | 0 | 113.4 | K278 H332 E333 | P252-K278 HydrophobicContact CB-CB 4.41Å; P252-K278 HydrophobicContact CB-CD 4.38Å; P252-H332 WeakPolarHBondContact CB-O 3.29Å; P252-E333 VanDerWaalsContact CG-O 3.3Å; P252-E333 WeakPolarHBondContact CG-O 3.4Å |
| 253 | R | 92.5 | Very high | 88.4 | Confident | 79 Ų | 79 | 76.9 Ų | 76.9 | 30% | 0.298 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 154.5 | -177 | -63.1 | 178.7 | -168 | -122.9 | -3.4 | 112.4 | L247 S249 T251 F255 K278 R279 G281 | L247-R253 PolarHBondContact O-NH1 3.07Å; L247-R253 PolarHBondContact O-NH2 2.03Å; S249-R253 PolarHBondContact O-NH2 2.97Å; T251-R253 PolarHBondContact O-N 2.9Å; R253-F255 PolarHBondContact O-N 3.12Å; R253-K278 CarbonylContact O-C 3.55Å; R253-K278 VanDerWaalsContact O-CA 3.31Å; R253-K278 WeakPolarHBondContact O-CA 3.49Å; R253-R279 PolarHBondContact N-O 3.47Å; R253-R279 PolarHBondContact O-N 2.83Å; R253-G281 PolarHBondContact NE-O 2.99Å |
| 254 | N | 94.1 | Very high | 89.2 | Confident | 109 Ų | 109 | 80 Ų | 80 | 58% | 0.583 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 122.7 | 174.8 | -66 | -11.9 | 0 | 0 | 0 | 109.3 | L276 K278 | N254-L276 HydrophobicContact CB-CD2 4.42Å; N254-K278 WeakPolarHBondContact OD1-CD 3.38Å; N254-K278 WeakPolarHBondContact OD1-CE 3.41Å; N254-K278 PolarHBondContact OD1-NZ 3.02Å |
| 255 | F | 94.9 | Very high | 89.7 | Confident | 118 Ų | 118 | 80.3 Ų | 80.3 | 52% | 0.518 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133.4 | 177.9 | -163.1 | -93 | 0 | 0 | 0 | 109.3 | R253 V257 V277 R279 | R253-F255 PolarHBondContact O-N 3.12Å; F255-V257 HydrophobicContact CD1-CG1 3.7Å; F255-V257 HydrophobicContact CE1-CG1 4.23Å; F255-V277 PolarHBondContact N-O 3.21Å; F255-V277 PolarHBondContact O-N 3.09Å; F255-R279 HydrophobicContact CB-CB 4.03Å; F255-R279 HydrophobicContact CB-CG 3.85Å; F255-R279 HydrophobicContact CD1-CG 4.46Å; F255-R279 HydrophobicContact CG-CG 4.29Å |
| 256 | S | 96 | Very high | 90.2 | Very high | 74 Ų | 74 | 81.7 Ų | 81.7 | 52% | 0.517 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 120.7 | 176.3 | -170.7 | 0 | 0 | 0 | 0 | 109.2 | ||
| 257 | V | 95.6 | Very high | 90.7 | Very high | 6 Ų | 6 | 81 Ų | 81 | 4% | 0.036 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 141.9 | 177.5 | -64.4 | 0 | 0 | 0 | 0 | 111 | F255 I259 E262 C274 L275 V277 L329 | F255-V257 HydrophobicContact CD1-CG1 3.7Å; F255-V257 HydrophobicContact CE1-CG1 4.23Å; V257-I259 PolarHBondContact O-N 2.74Å; V257-E262 HydrophobicContact CB-CG 3.77Å; V257-E262 HydrophobicContact CG1-CG 4.36Å; V257-E262 HydrophobicContact CG2-CG 3.96Å; V257-C274 CarbonylContact O-C 3.51Å; V257-C274 WeakPolarHBondContact O-CA 3.48Å; V257-C274 WeakPolarHBondContact O-CB 3.43Å; V257-L275 PolarHBondContact N-O 3.37Å; V257-L275 PolarHBondContact O-N 3.26Å; V257-V277 HydrophobicContact CB-CG2 4.23Å; V257-V277 HydrophobicContact CG1-CG2 3.48Å; V257-V277 VanDerWaalsContact CG1-CG2 3.48Å; V257-V277 HydrophobicContact CG2-CB 4.34Å; V257-V277 HydrophobicContact CG2-CG1 3.64Å; V257-V277 HydrophobicContact CG2-CG2 3.68Å; V257-L329 HydrophobicContact CG2-CD1 4.28Å |
| 258 | S | 95.6 | Very high | 91.2 | Very high | 27 Ų | 27 | 76.2 Ų | 76.2 | 19% | 0.189 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 118.8 | 169.6 | 170.5 | 0 | 0 | 0 | 0 | 109.3 | R260 E261 E262 | S258-R260 PolarHBondContact O-N 2.93Å; S258-E261 PolarHBondContact O-N 2.02Å; S258-E261 VanDerWaalsContact O-N 3.17Å; S258-E262 WeakPolarHBondContact O-CG 3.42Å; S258-E262 PolarHBondContact O-N 2.9Å |
| 259 | I | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.6 | -35.7 | 179.1 | -59.2 | 176.8 | 0 | 0 | 0 | 110.2 | V257 L263 F270 P272 G273 L275 V308 V327 | V257-I259 PolarHBondContact O-N 2.74Å; I259-L263 HydrophobicContact CG2-CD1 3.67Å; I259-L263 HydrophobicContact CG2-CG 4.19Å; I259-L263 WeakPolarHBondContact O-CB 3.3Å; I259-L263 WeakPolarHBondContact O-CG 3.37Å; I259-L263 PolarHBondContact O-N 3.25Å; I259-F270 HydrophobicContact CB-CB 4.29Å; I259-F270 HydrophobicContact CB-CD2 4.19Å; I259-F270 HydrophobicContact CB-CG 4.32Å; I259-F270 HydrophobicContact CD1-CB 3.9Å; I259-F270 HydrophobicContact CD1-CG 4.47Å; I259-F270 HydrophobicContact CG2-CB 4.17Å; I259-F270 HydrophobicContact CG2-CD1 4.15Å; I259-F270 HydrophobicContact CG2-CD2 3.62Å; I259-F270 HydrophobicContact CG2-CE1 4.43Å; I259-F270 HydrophobicContact CG2-CE2 3.95Å; I259-F270 HydrophobicContact CG2-CG 3.72Å; I259-F270 HydrophobicContact CG2-CZ 4.34Å; I259-P272 WeakPolarHBondContact CD1-O 3.01Å; I259-G273 PolarHBondContact N-O 2.85Å; I259-L275 HydrophobicContact CD1-CD1 3.63Å; I259-L275 HydrophobicContact CD1-CG 3.81Å; I259-L275 HydrophobicContact CG1-CD1 3.96Å; I259-L275 HydrophobicContact CG1-CG 4.05Å; I259-V308 HydrophobicContact CD1-CG1 3.85Å; I259-V327 HydrophobicContact CD1-CG2 4.49Å; I259-V327 HydrophobicContact CG2-CB 4.48Å; I259-V327 HydrophobicContact CG2-CG1 4.18Å; I259-V327 HydrophobicContact CG2-CG2 4.31Å |
| 260 | R | 93 | Very high | 92.2 | Very high | 124 Ų | 124 | 73 Ų | 73 | 47% | 0.468 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | -178.5 | -165.4 | -177.4 | -171.9 | -164.8 | 4.1 | 112.1 | S258 K264 R265 T266 | S258-R260 PolarHBondContact O-N 2.93Å; R260-K264 WeakPolarHBondContact O-CA 3.47Å; R260-K264 PolarHBondContact O-N 2.86Å; R260-R265 WeakPolarHBondContact CG-O 3.36Å; R260-R265 PolarHBondContact NE-O 3.49Å; R260-R265 VanDerWaalsContact NE-O 3.14Å; R260-R265 PolarHBondContact O-N 3.06Å; R260-R265 VanDerWaalsContact O-N 3.08Å; R260-T266 PolarHBondContact NH2-O 3.41Å |
| 261 | E | 92.2 | Very high | 92.4 | Very high | 151 Ų | 151 | 81.1 Ų | 81.1 | 71% | 0.706 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -72.3 | -44 | -179.3 | -71 | 167.8 | -161.7 | 0 | 0 | 111.1 | S258 L263 K264 | S258-E261 PolarHBondContact O-N 2.02Å; S258-E261 VanDerWaalsContact O-N 3.17Å; E261-L263 PolarHBondContact O-N 3.47Å; E261-K264 PolarHBondContact O-N 3.47Å; E261-K264 VanDerWaalsContact O-N 3.16Å |
| 262 | E | 92.9 | Very high | 92.6 | Very high | 74 Ų | 74 | 81.9 Ų | 81.9 | 35% | 0.346 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 177.8 | -70 | -73.2 | 149.5 | 0 | 0 | 111.9 | V257 S258 K264 R279 L329 | V257-E262 HydrophobicContact CB-CG 3.77Å; V257-E262 HydrophobicContact CG1-CG 4.36Å; V257-E262 HydrophobicContact CG2-CG 3.96Å; S258-E262 WeakPolarHBondContact O-CG 3.42Å; S258-E262 PolarHBondContact O-N 2.9Å; E262-K264 VanDerWaalsContact C-N 3.32Å; E262-R279 IonicContact OE1-CZ 2.97Å; E262-R279 IonicContact OE1-NH1 3.25Å; E262-R279 PolarHBondContact OE1-NH1 3.03Å; E262-R279 IonicContact OE1-NH2 3.24Å; E262-R279 PolarHBondContact OE1-NH2 3.42Å; E262-R279 IonicContact OE2-CZ 2.7Å; E262-R279 IonicContact OE2-NH2 3.84Å; E262-R279 PolarHBondContact OE2-NH2 2.93Å; E262-L329 HydrophobicContact CB-CD2 3.93Å; E262-L329 HydrophobicContact CG-CD2 4.37Å |
| 263 | L | 91.6 | Very high | 92.6 | Very high | 60 Ų | 60 | 81.6 Ų | 81.6 | 31% | 0.314 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -3.9 | 177.5 | -60.8 | -178.7 | 0 | 0 | 0 | 113.9 | I259 E261 R265 F270 V327 | I259-L263 HydrophobicContact CG2-CD1 3.67Å; I259-L263 HydrophobicContact CG2-CG 4.19Å; I259-L263 WeakPolarHBondContact O-CB 3.3Å; I259-L263 WeakPolarHBondContact O-CG 3.37Å; I259-L263 PolarHBondContact O-N 3.25Å; E261-L263 PolarHBondContact O-N 3.47Å; L263-R265 HydrophobicContact CB-CG 4Å; L263-R265 PolarHBondContact O-N 3.44Å; L263-F270 HydrophobicContact CD1-CE1 4.41Å; L263-F270 HydrophobicContact CD1-CE2 4.09Å; L263-F270 HydrophobicContact CD1-CZ 3.76Å; L263-V327 HydrophobicContact CD1-CB 4.13Å; L263-V327 HydrophobicContact CD1-CG1 3.71Å |
| 264 | K | 92.6 | Very high | 92.8 | Very high | 190 Ų | 190 | 81 Ų | 81 | 83% | 0.826 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 37.2 | -175.9 | -57 | 179.6 | -178.6 | 177.6 | 0 | 113.4 | R260 E261 E262 | R260-K264 WeakPolarHBondContact O-CA 3.47Å; R260-K264 PolarHBondContact O-N 2.86Å; E261-K264 PolarHBondContact O-N 3.47Å; E261-K264 VanDerWaalsContact O-N 3.16Å; E262-K264 VanDerWaalsContact C-N 3.32Å |
| 265 | R | 86.9 | Confident | 92.9 | Very high | 104 Ų | 104 | 77.1 Ų | 77.1 | 39% | 0.392 | 39% | 0.387 | S | S | . | . | trans | -101.8 | 129.2 | -177.2 | -74.5 | -74.8 | -170.5 | 120.9 | 2.7 | 110.7 | R260 L263 D267 | R260-R265 WeakPolarHBondContact CG-O 3.36Å; R260-R265 PolarHBondContact NE-O 3.49Å; R260-R265 VanDerWaalsContact NE-O 3.14Å; R260-R265 PolarHBondContact O-N 3.06Å; R260-R265 VanDerWaalsContact O-N 3.08Å; L263-R265 HydrophobicContact CB-CG 4Å; L263-R265 PolarHBondContact O-N 3.44Å; R265-D267 WeakPolarHBondContact CD-OD1 3.33Å; R265-D267 IonicContact NH1-OD1 3.96Å; R265-D267 IonicContact NH1-OD2 3.82Å | ||
| 266 | T | 85.8 | Confident | 92.9 | Very high | 115 Ų | 115 | 76.8 Ų | 76.8 | 71% | 0.706 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -108.8 | -13.8 | 174.9 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | R260 | R260-T266 PolarHBondContact NH2-O 3.41Š|
| 267 | D | 87.9 | Confident | 92.9 | Very high | 86 Ų | 86 | 73.3 Ų | 73.3 | 46% | 0.46 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -90 | -6.3 | -172.6 | 67.3 | -25.6 | 0 | 0 | 0 | 114.3 | R265 P313 | R265-D267 WeakPolarHBondContact CD-OD1 3.33Å; R265-D267 IonicContact NH1-OD1 3.96Å; R265-D267 IonicContact NH1-OD2 3.82Å; D267-P313 WeakPolarHBondContact O-CD 2.98Å |
| 268 | T | 88.8 | Confident | 93 | Very high | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.006 | 38% | 0.379 | C | S | . | . | trans | -134.9 | 138.6 | -167.2 | -57.6 | 0 | 0 | 0 | 0 | 110.6 | F270 Q310 R312 | T268-F270 HydrophobicContact CG2-CD2 4.39Å; T268-F270 HydrophobicContact CG2-CE1 4.08Å; T268-F270 HydrophobicContact CG2-CE2 3.89Å; T268-F270 HydrophobicContact CG2-CZ 3.73Å; T268-Q310 HydrophobicContact CG2-CG 3.24Å; T268-R312 HydrophobicContact CG2-CG 3.96Å; T268-R312 PolarHBondContact OG1-NE 2.95Å | ||
| 269 | I | 92.2 | Very high | 93 | Very high | 99 Ų | 99 | 77.8 Ų | 77.8 | 51% | 0.508 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 137 | 172.5 | -59.3 | 168.2 | 0 | 0 | 0 | 108.2 | L311 | I269-L311 HydrophobicContact CB-CB 4.12Å; I269-L311 HydrophobicContact CG2-CD1 4.34Å; I269-L311 PolarHBondContact N-O 3.02Å; I269-L311 PolarHBondContact O-N 3.49Å |
| 270 | F | 94.5 | Very high | 93 | Very high | 13 Ų | 13 | 79 Ų | 79 | 6% | 0.057 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 144.9 | 176.6 | -62.7 | -83.8 | 0 | 0 | 0 | 110.5 | I259 L263 T268 P272 G273 V308 L309 Q310 T325 V327 | I259-F270 HydrophobicContact CB-CB 4.29Å; I259-F270 HydrophobicContact CB-CD2 4.19Å; I259-F270 HydrophobicContact CB-CG 4.32Å; I259-F270 HydrophobicContact CD1-CB 3.9Å; I259-F270 HydrophobicContact CD1-CG 4.47Å; I259-F270 HydrophobicContact CG2-CB 4.17Å; I259-F270 HydrophobicContact CG2-CD1 4.15Å; I259-F270 HydrophobicContact CG2-CD2 3.62Å; I259-F270 HydrophobicContact CG2-CE1 4.43Å; I259-F270 HydrophobicContact CG2-CE2 3.95Å; I259-F270 HydrophobicContact CG2-CG 3.72Å; I259-F270 HydrophobicContact CG2-CZ 4.34Å; L263-F270 HydrophobicContact CD1-CE1 4.41Å; L263-F270 HydrophobicContact CD1-CE2 4.09Å; L263-F270 HydrophobicContact CD1-CZ 3.76Å; T268-F270 HydrophobicContact CG2-CD2 4.39Å; T268-F270 HydrophobicContact CG2-CE1 4.08Å; T268-F270 HydrophobicContact CG2-CE2 3.89Å; T268-F270 HydrophobicContact CG2-CZ 3.73Å; F270-P272 CarbonylContact C-O 3.48Å; F270-P272 CarbonylContact O-C 3.53Å; F270-G273 WeakPolarHBondContact O-CA 3.39Å; F270-G273 PolarHBondContact O-N 3.22Å; F270-V308 HydrophobicContact CD1-CG2 3.68Å; F270-V308 HydrophobicContact CE1-CG2 4.29Å; F270-L309 CarbonylContact C-O 3.55Å; F270-L309 WeakPolarHBondContact CA-O 2.84Å; F270-Q310 HydrophobicContact CD1-CB 4.45Å; F270-Q310 HydrophobicContact CD1-CG 4.39Å; F270-Q310 HydrophobicContact CE1-CB 4.37Å; F270-Q310 HydrophobicContact CE1-CG 3.99Å; F270-T325 HydrophobicContact CE1-CG2 4.26Å; F270-V327 HydrophobicContact CD1-CG1 4.26Å; F270-V327 HydrophobicContact CE1-CG1 3.83Å; F270-V327 HydrophobicContact CZ-CG1 4.45Å |
| 271 | W | 94.1 | Very high | 92.9 | Very high | 185 Ų | 185 | 74.1 Ų | 74.1 | 70% | 0.701 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130 | 122.1 | 172.7 | -179.4 | -88 | 0 | 0 | 0 | 110.5 | L309 | W271-L309 HydrophobicContact CB-CB 4.2Å; W271-L309 HydrophobicContact CB-CD2 4.44Å; W271-L309 PolarHBondContact N-O 2.65Å; W271-L309 PolarHBondContact O-N 2.93Å |
| 272 | P | 95.6 | Very high | 92.7 | Very high | 62 Ų | 62 | 68.5 Ų | 68.5 | 40% | 0.403 | 36% | 0.359 | S | S | . | . | S | Bend | cis | -63.3 | 153.3 | -5.9 | 29.9 | -36 | 0 | 0 | 0 | 111.9 | I259 F270 C274 L275 | I259-P272 WeakPolarHBondContact CD1-O 3.01Å; F270-P272 CarbonylContact C-O 3.48Å; F270-P272 CarbonylContact O-C 3.53Å; P272-C274 VanDerWaalsContact C-N 3.34Å; P272-L275 HydrophobicContact CG-CD2 3.78Å |
| 273 | G | 93.8 | Very high | 92.4 | Very high | 37 Ų | 37 | 70.3 Ų | 70.3 | 38% | 0.381 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -75.6 | -22.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I259 F270 | I259-G273 PolarHBondContact N-O 2.85Å; F270-G273 WeakPolarHBondContact O-CA 3.39Å; F270-G273 PolarHBondContact O-N 3.22Å |
| 274 | C | 95.8 | Very high | 91.9 | Very high | 66 Ų | 66 | 68.3 Ų | 68.3 | 45% | 0.446 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 148.9 | 177.1 | -57 | 0 | 0 | 0 | 0 | 110.5 | V257 P272 | V257-C274 CarbonylContact O-C 3.51Å; V257-C274 WeakPolarHBondContact O-CA 3.48Å; V257-C274 WeakPolarHBondContact O-CB 3.43Å; P272-C274 VanDerWaalsContact C-N 3.34Å |
| 275 | L | 96 | Very high | 90.6 | Very high | 27 Ų | 27 | 62.6 Ų | 62.6 | 14% | 0.141 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 154.9 | 175.1 | -71.1 | 172.2 | 0 | 0 | 0 | 110.6 | V257 I259 P272 H306 V308 V327 L329 | V257-L275 PolarHBondContact N-O 3.37Å; V257-L275 PolarHBondContact O-N 3.26Å; I259-L275 HydrophobicContact CD1-CD1 3.63Å; I259-L275 HydrophobicContact CD1-CG 3.81Å; I259-L275 HydrophobicContact CG1-CD1 3.96Å; I259-L275 HydrophobicContact CG1-CG 4.05Å; P272-L275 HydrophobicContact CG-CD2 3.78Å; L275-H306 HydrophobicContact CD1-CB 3.55Å; L275-V308 HydrophobicContact CD1-CG1 3.9Å; L275-V327 HydrophobicContact CD1-CG2 4.07Å; L275-L329 HydrophobicContact CB-CD1 3.95Å; L275-L329 HydrophobicContact CD1-CD1 3.7Å; L275-L329 HydrophobicContact CG-CD1 4.45Å |
| 276 | L | 96.2 | Very high | 89.2 | Confident | 111 Ų | 111 | 63.5 Ų | 63.5 | 58% | 0.581 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 125 | 171.8 | -73.1 | 173.5 | 0 | 0 | 0 | 109.5 | N254 | N254-L276 HydrophobicContact CB-CD2 4.42Å |
| 277 | V | 96.5 | Very high | 87.7 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.012 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 157 | 174.5 | -58.2 | 0 | 0 | 0 | 0 | 110.6 | F255 V257 R279 L329 H331 | F255-V277 PolarHBondContact N-O 3.21Å; F255-V277 PolarHBondContact O-N 3.09Å; V257-V277 HydrophobicContact CB-CG2 4.23Å; V257-V277 HydrophobicContact CG1-CG2 3.48Å; V257-V277 VanDerWaalsContact CG1-CG2 3.48Å; V257-V277 HydrophobicContact CG2-CB 4.34Å; V257-V277 HydrophobicContact CG2-CG1 3.64Å; V257-V277 HydrophobicContact CG2-CG2 3.68Å; V277-R279 HydrophobicContact CG2-CG 4.03Å; V277-L329 HydrophobicContact CG1-CB 3.99Å; V277-L329 HydrophobicContact CG1-CD1 3.76Å; V277-H331 VanDerWaalsContact CA-CE1 3.45Å; V277-H331 WeakPolarHBondContact CA-CE1 3.16Å |
| 278 | K | 96.2 | Very high | 86 | Confident | 73 Ų | 73 | 63.4 Ų | 63.4 | 32% | 0.317 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 124.4 | 171.5 | -69.3 | -65.1 | -165.3 | 175.6 | 0 | 110.4 | P252 R253 N254 H331 H332 | P252-K278 HydrophobicContact CB-CB 4.41Å; P252-K278 HydrophobicContact CB-CD 4.38Å; R253-K278 CarbonylContact O-C 3.55Å; R253-K278 VanDerWaalsContact O-CA 3.31Å; R253-K278 WeakPolarHBondContact O-CA 3.49Å; N254-K278 WeakPolarHBondContact OD1-CD 3.38Å; N254-K278 WeakPolarHBondContact OD1-CE 3.41Å; N254-K278 PolarHBondContact OD1-NZ 3.02Å; K278-H331 HydrophobicContact CB-CB 4.31Å; K278-H331 PolarHBondContact N-ND1 3.27Å; K278-H331 WeakPolarHBondContact O-CA 3.4Å; K278-H332 VanDerWaalsContact CB-O 3.31Å; K278-H332 WeakPolarHBondContact CB-O 3.26Å; K278-H332 PolarHBondContact O-N 3Å |
| 279 | R | 95.8 | Very high | 84.5 | Confident | 54 Ų | 54 | 71.4 Ų | 71.4 | 20% | 0.204 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 148.1 | 171.9 | -62 | -66.6 | 172.3 | 96.8 | -4.9 | 109.6 | R253 F255 E262 V277 H332 | R253-R279 PolarHBondContact N-O 3.47Å; R253-R279 PolarHBondContact O-N 2.83Å; F255-R279 HydrophobicContact CB-CB 4.03Å; F255-R279 HydrophobicContact CB-CG 3.85Å; F255-R279 HydrophobicContact CD1-CG 4.46Å; F255-R279 HydrophobicContact CG-CG 4.29Å; E262-R279 IonicContact OE1-CZ 2.97Å; E262-R279 IonicContact OE1-NH1 3.25Å; E262-R279 PolarHBondContact OE1-NH1 3.03Å; E262-R279 IonicContact OE1-NH2 3.24Å; E262-R279 PolarHBondContact OE1-NH2 3.42Å; E262-R279 IonicContact OE2-CZ 2.7Å; E262-R279 IonicContact OE2-NH2 3.84Å; E262-R279 PolarHBondContact OE2-NH2 2.93Å; V277-R279 HydrophobicContact CG2-CG 4.03Å; R279-H332 WeakPolarHBondContact CD-NE2 3.47Å |
| 280 | C | 94.9 | Very high | 82.7 | Confident | 25 Ų | 25 | 72.4 Ų | 72.4 | 17% | 0.169 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 133 | 177.3 | -65.9 | 0 | 0 | 0 | 0 | 110.2 | P298 H332 C335 | C280-P298 WeakPolarHBondContact SG-CA 3.25Å; C280-H332 PolarHBondContact N-ND1 2.91Å; C280-H332 VanDerWaalsContact SG-CB 3.58Å; C280-H332 PolarHBondContact SG-ND1 2.81Å; C280-C335 WeakPolarHBondContact CA-SG 3.37Å; C280-C335 HydrophobicContact CB-CB 3.77Å; C280-C335 WeakPolarHBondContact CB-SG 3.43Å; C280-C335 VanDerWaalsContact SG-CA 3.58Å; C280-C335 WeakPolarHBondContact SG-CB 3.35Å; C280-C335 CovalentContact SG-SG 2.02Å; C280-C335 PolarHBondContact SG-SG 3Å |
| 281 | G | 91.5 | Very high | 81.2 | Confident | 21 Ų | 21 | 74.4 Ų | 74.4 | 22% | 0.216 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 164.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T251 R253 | T251-G281 PolarHBondContact N-O 3.33Å; T251-G281 PolarHBondContact O-N 3.32Å; T251-G281 VanDerWaalsContact O-N 3.12Å; R253-G281 PolarHBondContact NE-O 2.99Å |
| 282 | G | 88.1 | Confident | 79.8 | Confident | 34 Ų | 34 | 72.8 Ų | 72.8 | 35% | 0.351 | 43% | 0.43 | S | S | . | . | S | Bend | trans | 112.4 | -172.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y248 | Y248-G282 WeakPolarHBondContact O-CA 3.32Š|
| 283 | N | 84.8 | Confident | 78.7 | Confident | 112 Ų | 112 | 75 Ų | 75 | 60% | 0.599 | 44% | 0.435 | S | S | * | . | B | Isolated β-bridge | trans | -104.5 | 150.5 | -173.6 | -59.8 | -34.4 | 0 | 0 | 0 | 111 | Y248 S249 C250 | Y248-N283 PolarHBondContact O-N 2.86Å; S249-N283 CarbonylContact C-O 3.49Å; S249-N283 WeakPolarHBondContact CA-O 3.44Å; C250-N283 PolarHBondContact N-O 2.69Å |
| 284 | C | 81.6 | Confident | 78.1 | Confident | 17 Ų | 17 | 74.3 Ų | 74.3 | 12% | 0.115 | 42% | 0.424 | C | S | . | . | trans | -96.9 | 112.4 | 171 | -70 | 0 | 0 | 0 | 0 | 109.1 | C294 C337 | C284-C294 HydrophobicContact CB-CB 3.62Å; C284-C337 WeakPolarHBondContact CA-SG 3.49Å; C284-C337 HydrophobicContact CB-CB 3.66Å; C284-C337 WeakPolarHBondContact CB-SG 3.3Å; C284-C337 WeakPolarHBondContact SG-CA 3.47Å; C284-C337 WeakPolarHBondContact SG-CB 3.36Å; C284-C337 CovalentContact SG-SG 2.03Å; C284-C337 PolarHBondContact SG-SG 2.62Å | ||
| 285 | A | 66.3 | Low | 77.7 | Confident | 71 Ų | 71 | 77.8 Ų | 77.8 | 59% | 0.587 | 43% | 0.434 | S | S | * | . | trans | -93.1 | -20.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 286 | C | 56.6 | Low | 77.5 | Confident | 123 Ų | 123 | 77.6 Ų | 77.6 | 83% | 0.831 | 44% | 0.435 | S | S | * | . | trans | -132.3 | 94.2 | -168.9 | -62 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 287 | C | 54.6 | Low | 77.3 | Confident | 22 Ų | 22 | 74.3 Ų | 74.3 | 15% | 0.149 | 42% | 0.419 | C | S | . | . | trans | -120.8 | 132.9 | 167.5 | -43.3 | 0 | 0 | 0 | 0 | 106.4 | H289 C294 C339 | C287-H289 WeakPolarHBondContact CB-O 3.44Å; C287-H289 PolarHBondContact O-N 2.85Å; C287-H289 VanDerWaalsContact O-N 3.09Å; C287-C294 WeakPolarHBondContact CB-SG 3.31Å; C287-C294 WeakPolarHBondContact SG-CB 3.29Å; C287-C294 CovalentContact SG-SG 2.07Å; C287-C294 PolarHBondContact SG-SG 2.9Å; C287-C339 HydrophobicContact CB-CB 4.45Å; C287-C339 PolarHBondContact SG-SG 2.85Å | ||
| 288 | L | 53.1 | Low | 77.2 | Confident | 177 Ų | 177 | 76.7 Ų | 76.7 | 93% | 0.927 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -58.3 | -23.7 | -178.6 | -104.7 | 120.4 | 0 | 0 | 0 | 112.7 | ||
| 289 | H | 56.1 | Low | 77.1 | Confident | 169 Ų | 169 | 75.8 Ų | 75.8 | 78% | 0.782 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -139.6 | 156.5 | 169.6 | -68.4 | -37.8 | 0 | 0 | 0 | 111.2 | C287 C291 | C287-H289 WeakPolarHBondContact CB-O 3.44Å; C287-H289 PolarHBondContact O-N 2.85Å; C287-H289 VanDerWaalsContact O-N 3.09Å; H289-C291 PolarHBondContact O-N 3.48Å |
| 290 | N | 55.8 | Low | 77 | Confident | 120 Ų | 120 | 78 Ų | 78 | 64% | 0.642 | 45% | 0.448 | S | S | * | . | trans | 20.7 | 85.9 | 177 | -109.4 | 15.4 | 0 | 0 | 0 | 116.6 | N292 E293 | N290-N292 PolarHBondContact O-N 2.89Å; N290-E293 PolarHBondContact O-N 3.39Å | ||
| 291 | C | 61.1 | Low | 77.1 | Confident | 55 Ų | 55 | 80 Ų | 80 | 37% | 0.372 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -62.7 | -9 | 179.8 | -58.1 | 0 | 0 | 0 | 0 | 115.1 | H289 E293 C294 | H289-C291 PolarHBondContact O-N 3.48Å; C291-E293 PolarHBondContact O-N 2.95Å; C291-C294 PolarHBondContact O-N 2.82Å |
| 292 | N | 65.5 | Low | 77.4 | Confident | 150 Ų | 150 | 81.2 Ų | 81.2 | 80% | 0.802 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -71.6 | -12.3 | -178.1 | -61.6 | -16.6 | 0 | 0 | 0 | 113.4 | N290 | N290-N292 PolarHBondContact O-N 2.89Š|
| 293 | E | 73.6 | Confident | 77.7 | Confident | 108 Ų | 108 | 86.1 Ų | 86.1 | 51% | 0.505 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -109.5 | 17.2 | -179.6 | -61.4 | -174.3 | -157.4 | 0 | 0 | 113.2 | N290 C291 R340 | N290-E293 PolarHBondContact O-N 3.39Å; C291-E293 PolarHBondContact O-N 2.95Å; E293-R340 HydrophobicContact CB-CB 4.29Å; E293-R340 PolarHBondContact O-N 2.81Å; E293-R340 WeakPolarHBondContact OE2-CB 3.35Å |
| 294 | C | 81 | Confident | 78.3 | Confident | 24 Ų | 24 | 84.7 Ų | 84.7 | 16% | 0.162 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 125.4 | -178.4 | -49.6 | 0 | 0 | 0 | 0 | 110.6 | C284 C287 C291 V338 C339 | C284-C294 HydrophobicContact CB-CB 3.62Å; C287-C294 WeakPolarHBondContact CB-SG 3.31Å; C287-C294 WeakPolarHBondContact SG-CB 3.29Å; C287-C294 CovalentContact SG-SG 2.07Å; C287-C294 PolarHBondContact SG-SG 2.9Å; C291-C294 PolarHBondContact O-N 2.82Å; C294-V338 CarbonylContact C-O 3.54Å; C294-V338 WeakPolarHBondContact CA-O 3.11Å; C294-C339 HydrophobicContact CB-CB 4.24Å; C294-C339 WeakPolarHBondContact SG-CB 3.15Å; C294-C339 PolarHBondContact SG-SG 2.81Å |
| 295 | Q | 86.9 | Confident | 78.9 | Confident | 139 Ų | 139 | 91.7 Ų | 91.7 | 65% | 0.65 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135.4 | 179.6 | -169.7 | 173.2 | 6 | 0 | 0 | 111 | V297 V338 | Q295-V297 HydrophobicContact CB-CG1 4.33Å; Q295-V297 HydrophobicContact CG-CG1 4.01Å; Q295-V297 PolarHBondContact O-N 3.47Å; Q295-V338 PolarHBondContact N-O 3.04Å; Q295-V338 PolarHBondContact O-N 2.79Å |
| 296 | C | 90.4 | Very high | 80.3 | Confident | 23 Ų | 23 | 90.4 Ų | 90.4 | 16% | 0.155 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 113.3 | 172 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | C250 | C250-C296 WeakPolarHBondContact CA-SG 3.45Å; C250-C296 HydrophobicContact CB-CB 3.71Å; C250-C296 WeakPolarHBondContact CB-SG 3.43Å; C250-C296 WeakPolarHBondContact SG-CA 3.4Å; C250-C296 WeakPolarHBondContact SG-CB 3.44Å; C250-C296 CovalentContact SG-SG 2.03Å; C250-C296 PolarHBondContact SG-SG 3.16Å |
| 297 | V | 92.4 | Very high | 82.2 | Confident | 42 Ų | 42 | 91 Ų | 91 | 26% | 0.255 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 152.9 | -175.7 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | Q295 S299 C335 D336 V338 | Q295-V297 HydrophobicContact CB-CG1 4.33Å; Q295-V297 HydrophobicContact CG-CG1 4.01Å; Q295-V297 PolarHBondContact O-N 3.47Å; V297-S299 PolarHBondContact O-N 2.8Å; V297-C335 CarbonylContact O-C 3.6Å; V297-C335 WeakPolarHBondContact O-CA 3.35Å; V297-D336 PolarHBondContact N-O 3.18Å; V297-D336 PolarHBondContact O-N 3.32Å; V297-V338 HydrophobicContact CG2-CB 4.02Å; V297-V338 HydrophobicContact CG2-CG2 3.41Å; V297-V338 VanDerWaalsContact CG2-CG2 3.41Å |
| 298 | P | 95.4 | Very high | 84.2 | Confident | 51 Ų | 51 | 90.1 Ų | 90.1 | 33% | 0.331 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 130.7 | 173.7 | 26.8 | -32 | 0 | 0 | 0 | 111.6 | C280 V301 H332 | C280-P298 WeakPolarHBondContact SG-CA 3.25Å; P298-V301 HydrophobicContact CB-CG2 3.63Å; P298-V301 HydrophobicContact CG-CG2 4.02Å; P298-H332 HydrophobicContact CB-CB 4.11Å |
| 299 | S | 93.1 | Very high | 86.3 | Confident | 55 Ų | 55 | 84.2 Ų | 84.2 | 39% | 0.385 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -27.6 | 168.6 | 54.4 | 0 | 0 | 0 | 0 | 111.9 | V297 E334 C335 D336 | V297-S299 PolarHBondContact O-N 2.8Å; S299-E334 PolarHBondContact N-O 3.42Å; S299-E334 VanDerWaalsContact OG-CB 3.26Å; S299-E334 WeakPolarHBondContact OG-CB 3.31Å; S299-E334 PolarHBondContact OG-O 2.88Å; S299-C335 PolarHBondContact OG-N 3.04Å; S299-D336 VanDerWaalsContact CB-CG 3.49Å; S299-D336 WeakPolarHBondContact CB-OD2 3.36Å; S299-D336 PolarHBondContact OG-OD2 3.45Å |
| 300 | K | 95.2 | Very high | 88.1 | Confident | 100 Ų | 100 | 76.9 Ų | 76.9 | 44% | 0.435 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 126.2 | 176.2 | -169.3 | 177.3 | 177.6 | 176.6 | 0 | 111.8 | E333 E334 | K300-E333 HydrophobicContact CB-CB 4.44Å; K300-E333 HydrophobicContact CD-CB 4.28Å; K300-E333 HydrophobicContact CG-CB 4.33Å; K300-E333 PolarHBondContact O-N 2.91Å; K300-E334 HydrophobicContact CB-CB 3.85Å; K300-E334 HydrophobicContact CB-CG 4.24Å; K300-E334 VanDerWaalsContact CD-CD 3.48Å; K300-E334 HydrophobicContact CD-CG 4.19Å; K300-E334 WeakPolarHBondContact CD-OE1 3.49Å; K300-E334 PolarHBondContact N-O 3Å; K300-E334 IonicContact NZ-OE1 2.65Å; K300-E334 PolarHBondContact NZ-OE1 2.9Å; K300-E334 PolarHBondContact O-N 3.25Å |
| 301 | V | 96.7 | Very high | 89.9 | Confident | 68 Ų | 68 | 72.5 Ų | 72.5 | 41% | 0.412 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 134.6 | 178.8 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | P298 E330 H331 | P298-V301 HydrophobicContact CB-CG2 3.63Å; P298-V301 HydrophobicContact CG-CG2 4.02Å; V301-E330 HydrophobicContact CG1-CB 3.9Å; V301-E330 HydrophobicContact CG1-CG 4.24Å; V301-H331 CarbonylContact C-O 3.57Å; V301-H331 WeakPolarHBondContact CA-O 3.32Å |
| 302 | T | 96.6 | Very high | 91.2 | Very high | 46 Ų | 46 | 74.3 Ų | 74.3 | 28% | 0.282 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 150.4 | 174.8 | 66.5 | 0 | 0 | 0 | 0 | 110.9 | H331 E333 | T302-H331 PolarHBondContact N-O 3.42Å; T302-H331 PolarHBondContact O-N 3.41Å; T302-E333 HydrophobicContact CG2-CG 3.59Å; T302-E333 WeakPolarHBondContact OG1-CG 3.4Å; T302-E333 PolarHBondContact OG1-OE1 2.79Å |
| 303 | K | 96 | Very high | 92.2 | Very high | 136 Ų | 136 | 71.4 Ų | 71.4 | 59% | 0.591 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 122.2 | 173.4 | -71.8 | -178.7 | -179.4 | 179.5 | 0 | 109.1 | L329 E330 | K303-L329 WeakPolarHBondContact CA-O 3.39Å; K303-E330 VanDerWaalsContact CE-OE1 3.29Å; K303-E330 WeakPolarHBondContact CE-OE1 3.13Å; K303-E330 HydrophobicContact CG-CG 4.05Å; K303-E330 IonicContact NZ-OE1 2.8Å |
| 304 | K | 95.6 | Very high | 92.7 | Very high | 82 Ų | 82 | 71.6 Ų | 71.6 | 36% | 0.357 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 139.1 | 174.8 | -64 | -174.9 | -176.4 | 169.2 | 0 | 109.5 | H306 A328 L329 H331 E333 | K304-H306 PolarHBondContact O-CD2 2.83Å; K304-A328 WeakPolarHBondContact O-CA 3.38Å; K304-L329 PolarHBondContact N-O 2.74Å; K304-L329 PolarHBondContact O-N 3.42Å; K304-H331 HydrophobicContact CD-CB 4.29Å; K304-E333 WeakPolarHBondContact CE-OE1 3.44Å; K304-E333 IonicContact NZ-OE1 3.76Å; K304-E333 PolarHBondContact NZ-OE1 2.81Å; K304-E333 IonicContact NZ-OE2 2.78Å |
| 305 | Y | 95.7 | Very high | 92.6 | Very high | 164 Ų | 164 | 77.4 Ų | 77.4 | 64% | 0.643 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 134.5 | 179.7 | -65.7 | -90.5 | 0 | 0 | 0 | 109.7 | D326 V327 A328 | Y305-D326 HydrophobicContact CD1-CB 4.1Å; Y305-V327 CarbonylContact C-O 3.52Å; Y305-V327 WeakPolarHBondContact CA-O 3.34Å; Y305-A328 HydrophobicContact CD1-CB 3.93Å; Y305-A328 HydrophobicContact CE1-CB 3.68Å |
| 306 | H | 95.6 | Very high | 91.9 | Very high | 45 Ų | 45 | 75 Ų | 75 | 21% | 0.208 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.4 | 178.6 | -62.7 | -101.6 | 0 | 0 | 0 | 108.8 | L275 K304 V308 D326 V327 H331 | L275-H306 HydrophobicContact CD1-CB 3.55Å; K304-H306 PolarHBondContact O-CD2 2.83Å; H306-V308 PolarHBondContact O-N 3.47Å; H306-D326 WeakPolarHBondContact O-CA 3.04Å; H306-V327 HydrophobicContact CB-CG2 4.02Å; H306-V327 PolarHBondContact N-O 3.26Å; H306-V327 WeakPolarHBondContact O-CG2 3.49Å; H306-V327 PolarHBondContact O-N 2.88Å; H306-H331 AromaticContact CE1-NE2 3.91Å; H306-H331 AromaticContact NE2-CE1 3.92Å; H306-H331 AromaticContact NE2-NE2 3.26Å; H306-H331 PolarHBondContact NE2-NE2 3.44Å |
| 307 | E | 96.6 | Very high | 91 | Very high | 136 Ų | 136 | 78.8 Ų | 78.8 | 64% | 0.636 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 124.3 | 175.5 | -172.4 | -179.9 | -126.2 | 0 | 0 | 109.4 | L324 | E307-L324 HydrophobicContact CG-CB 4.47Å; E307-L324 HydrophobicContact CG-CD2 4.49Å |
| 308 | V | 96.3 | Very high | 90.2 | Very high | 3 Ų | 3 | 89 Ų | 89 | 2% | 0.018 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 154.3 | 179.7 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | I259 F270 L275 H306 Q310 T325 V327 | I259-V308 HydrophobicContact CD1-CG1 3.85Å; F270-V308 HydrophobicContact CD1-CG2 3.68Å; F270-V308 HydrophobicContact CE1-CG2 4.29Å; L275-V308 HydrophobicContact CD1-CG1 3.9Å; H306-V308 PolarHBondContact O-N 3.47Å; V308-Q310 PolarHBondContact O-N 3.16Å; V308-T325 HydrophobicContact CG2-CG2 4.01Å; V308-T325 PolarHBondContact N-O 2.89Å; V308-T325 PolarHBondContact O-N 3Å; V308-V327 HydrophobicContact CG1-CG2 4.05Å; V308-V327 HydrophobicContact CG2-CB 4.33Å; V308-V327 HydrophobicContact CG2-CG1 3.55Å; V308-V327 HydrophobicContact CG2-CG2 3.87Å |
| 309 | L | 96.2 | Very high | 89.3 | Confident | 53 Ų | 53 | 88.6 Ų | 88.6 | 28% | 0.277 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 118.3 | 172.3 | 179.9 | 66.4 | 0 | 0 | 0 | 109.6 | F270 W271 L311 K322 L324 | F270-L309 CarbonylContact C-O 3.55Å; F270-L309 WeakPolarHBondContact CA-O 2.84Å; W271-L309 HydrophobicContact CB-CB 4.2Å; W271-L309 HydrophobicContact CB-CD2 4.44Å; W271-L309 PolarHBondContact N-O 2.65Å; W271-L309 PolarHBondContact O-N 2.93Å; L309-L311 HydrophobicContact CD2-CD2 4.08Å; L309-L311 HydrophobicContact CD2-CG 4.5Å; L309-L311 HydrophobicContact CG-CD2 4.08Å; L309-L311 HydrophobicContact CG-CG 4.36Å; L309-K322 HydrophobicContact CD1-CB 4.29Å; L309-L324 HydrophobicContact CD1-CD2 4.4Å |
| 310 | Q | 94.7 | Very high | 88.9 | Confident | 14 Ų | 14 | 89.8 Ų | 89.8 | 7% | 0.065 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 128.6 | 174.3 | -167.9 | 174.6 | 56.7 | 0 | 0 | 110.7 | T268 F270 V308 R312 K322 S323 T325 | T268-Q310 HydrophobicContact CG2-CG 3.24Å; F270-Q310 HydrophobicContact CD1-CB 4.45Å; F270-Q310 HydrophobicContact CD1-CG 4.39Å; F270-Q310 HydrophobicContact CE1-CB 4.37Å; F270-Q310 HydrophobicContact CE1-CG 3.99Å; V308-Q310 PolarHBondContact O-N 3.16Å; Q310-R312 HydrophobicContact CG-CG 4.35Å; Q310-R312 VanDerWaalsContact OE1-NH2 3.11Å; Q310-K322 WeakPolarHBondContact O-CA 3.33Å; Q310-S323 WeakPolarHBondContact CB-O 3.35Å; Q310-S323 PolarHBondContact N-O 3.14Å; Q310-S323 PolarHBondContact O-N 3.17Å; Q310-T325 HydrophobicContact CB-CG2 3.74Å; Q310-T325 HydrophobicContact CG-CG2 4.38Å |
| 311 | L | 92.3 | Very high | 88.6 | Confident | 28 Ų | 28 | 89.6 Ų | 89.6 | 15% | 0.147 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 113.6 | 178 | -57.4 | 174.2 | 0 | 0 | 0 | 109 | I269 L309 L320 H321 K322 | I269-L311 HydrophobicContact CB-CB 4.12Å; I269-L311 HydrophobicContact CG2-CD1 4.34Å; I269-L311 PolarHBondContact N-O 3.02Å; I269-L311 PolarHBondContact O-N 3.49Å; L309-L311 HydrophobicContact CD2-CD2 4.08Å; L309-L311 HydrophobicContact CD2-CG 4.5Å; L309-L311 HydrophobicContact CG-CD2 4.08Å; L309-L311 HydrophobicContact CG-CG 4.36Å; L311-L320 HydrophobicContact CB-CD2 4.39Å; L311-H321 WeakPolarHBondContact CA-O 3.43Å; L311-K322 HydrophobicContact CD2-CB 3.98Å; L311-K322 HydrophobicContact CD2-CD 4.03Å; L311-K322 HydrophobicContact CD2-CG 3.56Å |
| 312 | R | 90.3 | Very high | 88.5 | Confident | 93 Ų | 93 | 93.3 Ų | 93.3 | 35% | 0.351 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 135.3 | 177.1 | -70 | -172.4 | -176 | 153.5 | 9.4 | 111.3 | T268 Q310 K314 L320 H321 | T268-R312 HydrophobicContact CG2-CG 3.96Å; T268-R312 PolarHBondContact OG1-NE 2.95Å; Q310-R312 HydrophobicContact CG-CG 4.35Å; Q310-R312 VanDerWaalsContact OE1-NH2 3.11Å; R312-K314 PolarHBondContact O-N 3.06Å; R312-L320 CarbonylContact O-C 3.56Å; R312-L320 WeakPolarHBondContact O-CA 3.11Å; R312-H321 HydrophobicContact CB-CB 4.49Å; R312-H321 PolarHBondContact N-O 3.17Å; R312-H321 PolarHBondContact O-N 3.08Å |
| 313 | P | 85.6 | Confident | 88.4 | Confident | 89 Ų | 89 | 93 Ų | 93 | 58% | 0.578 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60 | 133.2 | 171.6 | -20.7 | 32.4 | 0 | 0 | 0 | 111.1 | D267 | D267-P313 WeakPolarHBondContact O-CD 2.98Å |
| 314 | K | 83.5 | Confident | 88.4 | Confident | 112 Ų | 112 | 92 Ų | 92 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -79 | 127.4 | 170.5 | -68.8 | -174.7 | 178.3 | -176.2 | 0 | 109.4 | R312 G316 G319 H321 | R312-K314 PolarHBondContact O-N 3.06Å; K314-G316 PolarHBondContact O-N 2.99Å; K314-G319 PolarHBondContact N-O 3.19Å; K314-H321 HydrophobicContact CG-CB 4.23Å |
| 315 | T | 78.6 | Confident | 88.4 | Confident | 147 Ų | 147 | 90.2 Ų | 90.2 | 90% | 0.902 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 119.5 | 171.3 | 30.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 316 | G | 73.4 | Confident | 88.3 | Confident | 87 Ų | 87 | 87.3 Ų | 87.3 | 90% | 0.897 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.8 | -5.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | K314 | K314-G316 PolarHBondContact O-N 2.99Š|
| 317 | V | 71.6 | Confident | 88.3 | Confident | 104 Ų | 104 | 85.4 Ų | 85.4 | 63% | 0.63 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -134.5 | 138.3 | 178 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | G319 | V317-G319 PolarHBondContact O-N 2.95Å; V317-G319 VanDerWaalsContact O-N 3.11Å |
| 318 | R | 74.7 | Confident | 88.3 | Confident | 255 Ų | 255 | 80.9 Ų | 80.9 | 96% | 0.962 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -61.8 | 113.1 | 172.3 | -96.2 | -174.1 | -100.7 | -152.8 | -4.5 | 109.7 | ||
| 319 | G | 77.3 | Confident | 88.2 | Confident | 44 Ų | 44 | 80.9 Ų | 80.9 | 45% | 0.454 | 44% | 0.444 | S | S | . | . | S | Bend | trans | 153.1 | 163.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K314 V317 | K314-G319 PolarHBondContact N-O 3.19Å; V317-G319 PolarHBondContact O-N 2.95Å; V317-G319 VanDerWaalsContact O-N 3.11Å |
| 320 | L | 85.3 | Confident | 88.2 | Confident | 79 Ų | 79 | 82.5 Ų | 82.5 | 41% | 0.414 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 132.2 | 175.4 | -70.3 | 160 | 0 | 0 | 0 | 109.6 | L311 R312 | L311-L320 HydrophobicContact CB-CD2 4.39Å; R312-L320 CarbonylContact O-C 3.56Å; R312-L320 WeakPolarHBondContact O-CA 3.11Å |
| 321 | H | 89.3 | Confident | 88.3 | Confident | 96 Ų | 96 | 82.3 Ų | 82.3 | 44% | 0.444 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 129.8 | 162.6 | -178.4 | -87.3 | 0 | 0 | 0 | 108.6 | L311 R312 K314 | L311-H321 WeakPolarHBondContact CA-O 3.43Å; R312-H321 HydrophobicContact CB-CB 4.49Å; R312-H321 PolarHBondContact N-O 3.17Å; R312-H321 PolarHBondContact O-N 3.08Å; K314-H321 HydrophobicContact CG-CB 4.23Å |
| 322 | K | 93.3 | Very high | 88.5 | Confident | 147 Ų | 147 | 82.4 Ų | 82.4 | 64% | 0.639 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 128.4 | -176.2 | -45.8 | -173.9 | -177 | 171.9 | 0 | 109 | L309 Q310 L311 | L309-K322 HydrophobicContact CD1-CB 4.29Å; Q310-K322 WeakPolarHBondContact O-CA 3.33Å; L311-K322 HydrophobicContact CD2-CB 3.98Å; L311-K322 HydrophobicContact CD2-CD 4.03Å; L311-K322 HydrophobicContact CD2-CG 3.56Å |
| 323 | S | 94.7 | Very high | 88.7 | Confident | 38 Ų | 38 | 81.3 Ų | 81.3 | 27% | 0.266 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 144.1 | 176.1 | 49.2 | 0 | 0 | 0 | 0 | 110.3 | Q310 | Q310-S323 WeakPolarHBondContact CB-O 3.35Å; Q310-S323 PolarHBondContact N-O 3.14Å; Q310-S323 PolarHBondContact O-N 3.17Å |
| 324 | L | 96 | Very high | 88.9 | Confident | 116 Ų | 116 | 81.6 Ų | 81.6 | 61% | 0.607 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 137.7 | 166 | -65.6 | 173.9 | 0 | 0 | 0 | 108.7 | E307 L309 | E307-L324 HydrophobicContact CG-CB 4.47Å; E307-L324 HydrophobicContact CG-CD2 4.49Å; L309-L324 HydrophobicContact CD1-CD2 4.4Å |
| 325 | T | 94.8 | Very high | 89.3 | Confident | 45 Ų | 45 | 77 Ų | 77 | 28% | 0.276 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 147.9 | 177.8 | -170.5 | 0 | 0 | 0 | 0 | 109.6 | F270 V308 Q310 V327 | F270-T325 HydrophobicContact CE1-CG2 4.26Å; V308-T325 HydrophobicContact CG2-CG2 4.01Å; V308-T325 PolarHBondContact N-O 2.89Å; V308-T325 PolarHBondContact O-N 3Å; Q310-T325 HydrophobicContact CB-CG2 3.74Å; Q310-T325 HydrophobicContact CG-CG2 4.38Å; T325-V327 HydrophobicContact CG2-CG1 4.34Å |
| 326 | D | 95.6 | Very high | 89.7 | Confident | 102 Ų | 102 | 74.3 Ų | 74.3 | 55% | 0.545 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 130.3 | 168.6 | -64.7 | -39.9 | 0 | 0 | 0 | 110.1 | Y305 H306 | Y305-D326 HydrophobicContact CD1-CB 4.1Å; H306-D326 WeakPolarHBondContact O-CA 3.04Å |
| 327 | V | 94.8 | Very high | 90.4 | Very high | 6 Ų | 6 | 72.7 Ų | 72.7 | 4% | 0.036 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 126.4 | 168.9 | -64.6 | 0 | 0 | 0 | 0 | 109.6 | I259 L263 F270 L275 Y305 H306 V308 T325 | I259-V327 HydrophobicContact CD1-CG2 4.49Å; I259-V327 HydrophobicContact CG2-CB 4.48Å; I259-V327 HydrophobicContact CG2-CG1 4.18Å; I259-V327 HydrophobicContact CG2-CG2 4.31Å; L263-V327 HydrophobicContact CD1-CB 4.13Å; L263-V327 HydrophobicContact CD1-CG1 3.71Å; F270-V327 HydrophobicContact CD1-CG1 4.26Å; F270-V327 HydrophobicContact CE1-CG1 3.83Å; F270-V327 HydrophobicContact CZ-CG1 4.45Å; L275-V327 HydrophobicContact CD1-CG2 4.07Å; Y305-V327 CarbonylContact C-O 3.52Å; Y305-V327 WeakPolarHBondContact CA-O 3.34Å; H306-V327 HydrophobicContact CB-CG2 4.02Å; H306-V327 PolarHBondContact N-O 3.26Å; H306-V327 WeakPolarHBondContact O-CG2 3.49Å; H306-V327 PolarHBondContact O-N 2.88Å; V308-V327 HydrophobicContact CG1-CG2 4.05Å; V308-V327 HydrophobicContact CG2-CB 4.33Å; V308-V327 HydrophobicContact CG2-CG1 3.55Å; V308-V327 HydrophobicContact CG2-CG2 3.87Å; T325-V327 HydrophobicContact CG2-CG1 4.34Å |
| 328 | A | 95.4 | Very high | 91 | Very high | 40 Ų | 40 | 71.9 Ų | 71.9 | 33% | 0.331 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 119.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | K304 Y305 | K304-A328 WeakPolarHBondContact O-CA 3.38Å; Y305-A328 HydrophobicContact CD1-CB 3.93Å; Y305-A328 HydrophobicContact CE1-CB 3.68Å |
| 329 | L | 96.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 146.2 | 175.2 | -62.9 | 178.4 | 0 | 0 | 0 | 110.2 | V257 E262 L275 V277 K303 K304 H331 | V257-L329 HydrophobicContact CG2-CD1 4.28Å; E262-L329 HydrophobicContact CB-CD2 3.93Å; E262-L329 HydrophobicContact CG-CD2 4.37Å; L275-L329 HydrophobicContact CB-CD1 3.95Å; L275-L329 HydrophobicContact CD1-CD1 3.7Å; L275-L329 HydrophobicContact CG-CD1 4.45Å; V277-L329 HydrophobicContact CG1-CB 3.99Å; V277-L329 HydrophobicContact CG1-CD1 3.76Å; K303-L329 WeakPolarHBondContact CA-O 3.39Å; K304-L329 PolarHBondContact N-O 2.74Å; K304-L329 PolarHBondContact O-N 3.42Å; L329-H331 PolarHBondContact O-CD2 2.86Å |
| 330 | E | 95.8 | Very high | 91 | Very high | 88 Ų | 88 | 70 Ų | 70 | 41% | 0.411 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 128.7 | 178.4 | -69 | -177.4 | 173.2 | 0 | 0 | 111.2 | V301 K303 | V301-E330 HydrophobicContact CG1-CB 3.9Å; V301-E330 HydrophobicContact CG1-CG 4.24Å; K303-E330 VanDerWaalsContact CE-OE1 3.29Å; K303-E330 WeakPolarHBondContact CE-OE1 3.13Å; K303-E330 HydrophobicContact CG-CG 4.05Å; K303-E330 IonicContact NZ-OE1 2.8Å |
| 331 | H | 96.9 | Very high | 89.7 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 5% | 0.046 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 130.1 | 177.6 | -74.8 | -117.2 | 0 | 0 | 0 | 109 | V277 K278 V301 T302 K304 H306 L329 | V277-H331 VanDerWaalsContact CA-CE1 3.45Å; V277-H331 WeakPolarHBondContact CA-CE1 3.16Å; K278-H331 HydrophobicContact CB-CB 4.31Å; K278-H331 PolarHBondContact N-ND1 3.27Å; K278-H331 WeakPolarHBondContact O-CA 3.4Å; V301-H331 CarbonylContact C-O 3.57Å; V301-H331 WeakPolarHBondContact CA-O 3.32Å; T302-H331 PolarHBondContact N-O 3.42Å; T302-H331 PolarHBondContact O-N 3.41Å; K304-H331 HydrophobicContact CD-CB 4.29Å; H306-H331 AromaticContact CE1-NE2 3.91Å; H306-H331 AromaticContact NE2-CE1 3.92Å; H306-H331 AromaticContact NE2-NE2 3.26Å; H306-H331 PolarHBondContact NE2-NE2 3.44Å; L329-H331 PolarHBondContact O-CD2 2.86Å |
| 332 | H | 96.4 | Very high | 87.8 | Confident | 29 Ų | 29 | 70.6 Ų | 70.6 | 13% | 0.134 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 115.5 | 172 | -56 | -170.9 | 0 | 0 | 0 | 107.5 | P252 K278 R279 C280 P298 | P252-H332 WeakPolarHBondContact CB-O 3.29Å; K278-H332 VanDerWaalsContact CB-O 3.31Å; K278-H332 WeakPolarHBondContact CB-O 3.26Å; K278-H332 PolarHBondContact O-N 3Å; R279-H332 WeakPolarHBondContact CD-NE2 3.47Å; C280-H332 PolarHBondContact N-ND1 2.91Å; C280-H332 VanDerWaalsContact SG-CB 3.58Å; C280-H332 PolarHBondContact SG-ND1 2.81Å; P298-H332 HydrophobicContact CB-CB 4.11Å |
| 333 | E | 93.4 | Very high | 85.4 | Confident | 71 Ų | 71 | 70.3 Ų | 70.3 | 33% | 0.332 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -35.3 | 178.9 | -65.3 | -62.7 | 134.6 | 0 | 0 | 111.5 | P252 K300 T302 K304 | P252-E333 VanDerWaalsContact CG-O 3.3Å; P252-E333 WeakPolarHBondContact CG-O 3.4Å; K300-E333 HydrophobicContact CB-CB 4.44Å; K300-E333 HydrophobicContact CD-CB 4.28Å; K300-E333 HydrophobicContact CG-CB 4.33Å; K300-E333 PolarHBondContact O-N 2.91Å; T302-E333 HydrophobicContact CG2-CG 3.59Å; T302-E333 WeakPolarHBondContact OG1-CG 3.4Å; T302-E333 PolarHBondContact OG1-OE1 2.79Å; K304-E333 WeakPolarHBondContact CE-OE1 3.44Å; K304-E333 IonicContact NZ-OE1 3.76Å; K304-E333 PolarHBondContact NZ-OE1 2.81Å; K304-E333 IonicContact NZ-OE2 2.78Å |
| 334 | E | 91.2 | Very high | 82.6 | Confident | 94 Ų | 94 | 72.2 Ų | 72.2 | 44% | 0.439 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.1 | -179.5 | -63.7 | 163 | -148.4 | 0 | 0 | 108.9 | S299 K300 | S299-E334 PolarHBondContact N-O 3.42Å; S299-E334 VanDerWaalsContact OG-CB 3.26Å; S299-E334 WeakPolarHBondContact OG-CB 3.31Å; S299-E334 PolarHBondContact OG-O 2.88Å; K300-E334 HydrophobicContact CB-CB 3.85Å; K300-E334 HydrophobicContact CB-CG 4.24Å; K300-E334 VanDerWaalsContact CD-CD 3.48Å; K300-E334 HydrophobicContact CD-CG 4.19Å; K300-E334 WeakPolarHBondContact CD-OE1 3.49Å; K300-E334 PolarHBondContact N-O 3Å; K300-E334 IonicContact NZ-OE1 2.65Å; K300-E334 PolarHBondContact NZ-OE1 2.9Å; K300-E334 PolarHBondContact O-N 3.25Å |
| 335 | C | 90.9 | Very high | 79.5 | Confident | 17 Ų | 17 | 74.2 Ų | 74.2 | 12% | 0.115 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 133.9 | -174.7 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | T251 C280 V297 S299 | T251-C335 VanDerWaalsContact C-SG 3.59Å; C280-C335 WeakPolarHBondContact CA-SG 3.37Å; C280-C335 HydrophobicContact CB-CB 3.77Å; C280-C335 WeakPolarHBondContact CB-SG 3.43Å; C280-C335 VanDerWaalsContact SG-CA 3.58Å; C280-C335 WeakPolarHBondContact SG-CB 3.35Å; C280-C335 CovalentContact SG-SG 2.02Å; C280-C335 PolarHBondContact SG-SG 3Å; V297-C335 CarbonylContact O-C 3.6Å; V297-C335 WeakPolarHBondContact O-CA 3.35Å; S299-C335 PolarHBondContact OG-N 3.04Å |
| 336 | D | 88.1 | Confident | 78.8 | Confident | 90 Ų | 90 | 75.7 Ų | 75.7 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 156 | -179.7 | -67.6 | -19.7 | 0 | 0 | 0 | 111.3 | V297 S299 | V297-D336 PolarHBondContact N-O 3.18Å; V297-D336 PolarHBondContact O-N 3.32Å; S299-D336 VanDerWaalsContact CB-CG 3.49Å; S299-D336 WeakPolarHBondContact CB-OD2 3.36Å; S299-D336 PolarHBondContact OG-OD2 3.45Å |
| 337 | C | 86.4 | Confident | 77.9 | Confident | 52 Ų | 52 | 74.3 Ų | 74.3 | 35% | 0.351 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 118.7 | 173.7 | -77.1 | 0 | 0 | 0 | 0 | 110.6 | C250 C284 | C250-C337 WeakPolarHBondContact CB-SG 3.42Å; C284-C337 WeakPolarHBondContact CA-SG 3.49Å; C284-C337 HydrophobicContact CB-CB 3.66Å; C284-C337 WeakPolarHBondContact CB-SG 3.3Å; C284-C337 WeakPolarHBondContact SG-CA 3.47Å; C284-C337 WeakPolarHBondContact SG-CB 3.36Å; C284-C337 CovalentContact SG-SG 2.03Å; C284-C337 PolarHBondContact SG-SG 2.62Å |
| 338 | V | 85.3 | Confident | 77 | Confident | 87 Ų | 87 | 78.1 Ų | 78.1 | 53% | 0.527 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.1 | 177.6 | 177.2 | 0 | 0 | 0 | 0 | 109.8 | C294 Q295 V297 | C294-V338 CarbonylContact C-O 3.54Å; C294-V338 WeakPolarHBondContact CA-O 3.11Å; Q295-V338 PolarHBondContact N-O 3.04Å; Q295-V338 PolarHBondContact O-N 2.79Å; V297-V338 HydrophobicContact CG2-CB 4.02Å; V297-V338 HydrophobicContact CG2-CG2 3.41Å; V297-V338 VanDerWaalsContact CG2-CG2 3.41Å |
| 339 | C | 80.6 | Confident | 75.9 | Confident | 43 Ų | 43 | 80.3 Ų | 80.3 | 29% | 0.291 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 133 | -171.8 | -36.2 | 0 | 0 | 0 | 0 | 110 | C287 C294 G341 | C287-C339 HydrophobicContact CB-CB 4.45Å; C287-C339 PolarHBondContact SG-SG 2.85Å; C294-C339 HydrophobicContact CB-CB 4.24Å; C294-C339 WeakPolarHBondContact SG-CB 3.15Å; C294-C339 PolarHBondContact SG-SG 2.81Å; C339-G341 PolarHBondContact O-N 3.03Å |
| 340 | R | 70.7 | Confident | 74.6 | Confident | 216 Ų | 216 | 85.1 Ų | 85.1 | 82% | 0.815 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 115.1 | 170.3 | -74.9 | -173.9 | 171.7 | -161.9 | -2 | 109.3 | E293 | E293-R340 HydrophobicContact CB-CB 4.29Å; E293-R340 PolarHBondContact O-N 2.81Å; E293-R340 WeakPolarHBondContact OE2-CB 3.35Å |
| 341 | G | 58.2 | Low | 73.2 | Confident | 72 Ų | 72 | 84.9 Ų | 84.9 | 74% | 0.742 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 147.7 | -14.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | C339 T343 | C339-G341 PolarHBondContact O-N 3.03Å; G341-T343 PolarHBondContact O-N 3.11Å |
| 342 | S | 49.3 | Very low | 71.5 | Confident | 117 Ų | 117 | 90.3 Ų | 90.3 | 82% | 0.818 | 60% | 0.595 | S | S | * | * | trans | -80 | 72.8 | 171.5 | -168 | 0 | 0 | 0 | 0 | 111 | ||||
| 343 | T | 43 | Very low | 69.6 | Low | 141 Ų | 141 | 95 Ų | 95 | 87% | 0.865 | 63% | 0.631 | S | S | * | * | trans | -123.3 | 97 | 154.1 | 49.7 | 0 | 0 | 0 | 0 | 107.4 | G341 | G341-T343 PolarHBondContact O-N 3.11Š| ||
| 344 | G | 36.8 | Very low | 67.6 | Low | 77 Ų | 77 | 97 Ų | 97 | 79% | 0.794 | 66% | 0.656 | S | S | * | * | trans | 168.3 | 97 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 345 | G | 30.8 | Very low | 65.4 | Low | 158 Ų | 158 | 97.3 Ų | 97.3 | 100% | 1.629 | 68% | 0.675 | S | S | * | * | trans | 74.1 | 0 | 139.2 | 0 | 0 | 0 | 0 | 0 | 117.7 |
Retrieved 345 of 345 residues in 1527.6 ms
(Link to these results)